From 978eb99f02984e18bc1329e2a9e2153fdfcc7617 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 20 Jan 2021 16:08:01 +0100 Subject: [PATCH 001/203] New way to deal with electric field in triangles. Some improvements but rectangles are still recommended for regular grids. --- src/modules/mesh/2DCyl/moduleMeshCyl.f90 | 15 +++++++++++---- src/modules/mesh/moduleMesh.f90 | 2 +- 2 files changed, 12 insertions(+), 5 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMeshCyl.f90 b/src/modules/mesh/2DCyl/moduleMeshCyl.f90 index 721361b..ad377dc 100644 --- a/src/modules/mesh/2DCyl/moduleMeshCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMeshCyl.f90 @@ -717,7 +717,6 @@ MODULE moduleMeshCyl self%n3%v = self%n3%v + self%arNodes(3) !Derivatives in z/r for shape functions (node independent) - !TODO: This is used because invJ.dPsi does not produce the right Electric field A = self%z(2)*self%r(3) - self%z(3)*self%r(2) + & self%z(3)*self%r(1) - self%z(1)*self%r(3) + & self%z(1)*self%r(2) - self%z(2)*self%r(1) @@ -971,15 +970,23 @@ MODULE moduleMeshCyl CLASS(meshVolCylTria), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) + REAL(8):: dPsi(1:2,1:3) + REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates + REAL(8):: invJ(1:2,1:2), detJ REAL(8):: phi(1:3) + REAL(8):: dummy REAL(8):: EF(1:3) phi = (/self%n1%emData%phi, & self%n2%emData%phi, & - self%n3%emData%phi/) + self%n3%emData%phi /) - EF(1) = -DOT_PRODUCT(self%dPsiZ(:), phi) - EF(2) = -DOT_PRODUCT(self%dPsiR(:), phi) + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + dPsiR = MATMUL(invJ, dPsi)/detJ + EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) + EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) EF(3) = 0.D0 END FUNCTION gatherEFTria diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 0869fb3..3c9e7ed 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -70,7 +70,7 @@ MODULE moduleMesh CONTAINS PROCEDURE(initEdge_interface), DEFERRED, PASS:: init PROCEDURE(getNodesEdge_interface), DEFERRED, PASS:: getNodes - PROCEDURE(randPosEdge_interface), DEFERRED, PASS:: randPos + PROCEDURE(randPosEdge_interface), DEFERRED, PASS:: randPos END TYPE meshEdge From 2a6628d52969dbec08cedd30fd5997801200bab7 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 20 Jan 2021 16:36:01 +0100 Subject: [PATCH 002/203] Added and option to include an output folder name. The date and time of creation is still appended to the folder name provided. --- doc/user-manual/fpakc_UserManual.pdf | Bin 155571 -> 156032 bytes doc/user-manual/fpakc_UserManual.tex | 6 +++++- runs/1D_Cathode/inputCart.json | 3 ++- runs/1D_Cathode/inputRad.json | 3 ++- runs/ALPHIE_Grid/inputDiffTau.json | 3 ++- runs/ALPHIE_Grid/inputSameTau.json | 3 ++- runs/Argon_Expansion/CX_case.json | 3 ++- runs/Argon_Expansion/base_case.json | 3 ++- src/modules/moduleInput.f90 | 20 ++++++++++++++++---- 9 files changed, 33 insertions(+), 11 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 0e703060c52b674d388a4ce85514e5fdaa16392c..e4bd94ea0d4a4ed455624eb1ad8fcfd762261cbe 100644 GIT binary patch delta 33952 zcmV)LK)JuOzX^cD39xPkQtm8Z&tJcXfYYl=ydu!hAa0-;RgZDhNc}t@7tRiU9&xiv z$;*<%tToI3F+uATS_rVrmL8G&V7_!UhF} zf4y7FcI37Z-7EPBE!jC1gZIO`*okxOlf+4^-8hS}<{{cWn(=rvj{hK^om&7%6iBdJ 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z$^;L1F%Cv=i8#=o-@X-!z6!a9l$7Ib_Z1-g{nb695f0j4*`+<$A()f z0#FL;vjH=K=QZ2cf@UH$1m4FRv!hb9RmW;z)KO|jaOwo4hN>z?4U1RDgT9g)9!
    2z|L+WICh(@Dw~xJ-&v`E=XC`nU0fl7}6I0jMVER9ct$OSL diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index ac366ed..567e1f5 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -284,7 +284,7 @@ make in a command line from the root \acrshort{fpakc} folder. Substitute \lstinline|path/to/input-file.json| with the path to the input file of the case you want to run. The examples in the run directory are presented in Chapter \ref{ch:exampleRuns}. - + %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Input File}\label{ch:input_file} The input files for \Gls{fpakc} is divided between to files: a mesh file and a case file. @@ -309,6 +309,10 @@ make \begin{itemize} \item \textbf{path}: Character. Path for the output files. This path is also used to locate the mesh input file. + \item \textbf{folder}: Character. + Base name of the folder in wich output files are placed. + The date and time is appended to this name. + If none is provided, only the date and time is writted as the folder name. \item \textbf{triggerOutput}: Integer. Determines the number of iterations between writing output files for macroscopic quantities. \item \textbf{cpuTime}: Logical. diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 95c5e52..5d04eb2 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -5,7 +5,8 @@ "triggerOutput": 100, "cpuTime": false, "numColl": false, - "EMField": true + "EMField": true, + "folder": "Cartesian" }, "reference": { "density": 1.0e16, diff --git a/runs/1D_Cathode/inputRad.json b/runs/1D_Cathode/inputRad.json index 95b53a9..32518e5 100644 --- a/runs/1D_Cathode/inputRad.json +++ b/runs/1D_Cathode/inputRad.json @@ -5,7 +5,8 @@ "triggerOutput": 100, "cpuTime": false, "numColl": false, - "EMField": true + "EMField": true, + "folder": "Radial" }, "reference": { "density": 1.0e16, diff --git a/runs/ALPHIE_Grid/inputDiffTau.json b/runs/ALPHIE_Grid/inputDiffTau.json index 020c303..1ce7035 100644 --- a/runs/ALPHIE_Grid/inputDiffTau.json +++ b/runs/ALPHIE_Grid/inputDiffTau.json @@ -5,7 +5,8 @@ "triggerCPUTime": 1, "cpuTime": true, "numColl": false, - "EMField": true + "EMField": true, + "folder": "Diff_tau" }, "geometry": { "type": "2DCyl", diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json index e92d299..74e920a 100644 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ b/runs/ALPHIE_Grid/inputSameTau.json @@ -5,7 +5,8 @@ "triggerCPUTime": 1, "cpuTime": true, "numColl": false, - "EMField": true + "EMField": true, + "folder": "Same_tau" }, "geometry": { "type": "2DCyl", diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index 2b1f2f2..d2d89db 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -3,7 +3,8 @@ "path": "./runs/Argon_Expansion/", "triggerOutput": 10, "cpuTime": false, - "numColl": true + "numColl": true, + "folder": "CX_case" }, "geometry": { "type": "2DCyl", diff --git a/runs/Argon_Expansion/base_case.json b/runs/Argon_Expansion/base_case.json index 78e16ed..8cc7238 100644 --- a/runs/Argon_Expansion/base_case.json +++ b/runs/Argon_Expansion/base_case.json @@ -3,7 +3,8 @@ "path": "./runs/Argon_Expansion/", "triggerOutput": 10, "cpuTime": false, - "numColl": false + "numColl": false, + "folder": "base_case" }, "geometry": { "type": "2DCyl", diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 82694cd..2a6e334 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -347,6 +347,7 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config LOGICAL:: found CHARACTER(:), ALLOCATABLE:: object + CHARACTER(:), ALLOCATABLE:: baseName CHARACTER(8) :: date_now='' CHARACTER(10) :: time_now='' @@ -359,11 +360,22 @@ MODULE moduleInput END IF - !Creates output folder - !TODO: Add option for custon name output_folder + !Gets actual date and time CALL DATE_AND_TIME(date_now, time_now) - folder = date_now(1:4) // '-' // date_now(5:6) // '-' // date_now(7:8) // '_' & - // time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) + + !Gets the basename of the folder + CALL config%get(object // '.folder', baseName, found) + PRINT *, baseName + IF (found) THEN + folder = baseName + + END IF + + !Compose the folder name + folder = folder // '_' // date_now(1:4) // '-' // date_now(5:6) // '-' // date_now(7:8) // '_' & + // time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) + + !Creates the folder CALL EXECUTE_COMMAND_LINE('mkdir ' // path // folder ) CALL config%get(object // '.cpuTime', timeOutput, found) From 2ae4a6c78521a52e07a16c8492f52526303c8c1b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 21 Jan 2021 12:03:10 +0100 Subject: [PATCH 003/203] First implementation of 2D Cartesian space. Files and types with 'Cyl' have been changed to '2DCyl' to better differentiate between the two types of 2D geometry. Solvers for charged and neutral particles in 2D Cartesian space. Added solveds for 1D neutral particles (this branch is not the place to do it, but it was a minor change). User Manual updated with the new accepted options. --- doc/user-manual/fpakc_UserManual.pdf | Bin 156032 -> 156928 bytes doc/user-manual/fpakc_UserManual.tex | 35 +- src/makefile | 3 +- src/modules/mesh/2DCart/makefile | 11 + src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 1057 +++++++++++++++++ .../mesh/2DCart/moduleMesh2DCartBoundary.f90 | 154 +++ .../mesh/2DCart/moduleMesh2DCartRead.f90 | 599 ++++++++++ src/modules/mesh/2DCyl/makefile | 8 +- ...{moduleMeshCyl.f90 => moduleMesh2DCyl.f90} | 158 ++- ...undary.f90 => moduleMesh2DCylBoundary.f90} | 14 +- ...eshCylRead.f90 => moduleMesh2DCylRead.f90} | 78 +- src/modules/mesh/makefile | 5 +- src/modules/moduleInput.f90 | 10 +- src/modules/moduleSolver.f90 | 140 ++- 14 files changed, 2110 insertions(+), 162 deletions(-) create mode 100644 src/modules/mesh/2DCart/makefile create mode 100644 src/modules/mesh/2DCart/moduleMesh2DCart.f90 create mode 100644 src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 create mode 100644 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b/doc/user-manual/fpakc_UserManual.tex @@ -128,15 +128,18 @@ When a 2D cylindrical geometry is used ($z$, $r$), a Boris solver\cite{boris1970relativistic} is used to move particles accounting for the effect of the symmetry axis. This pusher removes the issue with particles going to infinite velocity when $r \rightarrow 0$ by pushing the particles in Cartesian space and then converting it to $r-z$ geometry. Velocity in the $\theta$ direction is updated for collision processes, although the dynamic in the angular direction is assumed as symmetric. - - Cross-sections are read from files. - These files contains two columns: one for the relative energy (in $\unit{eV}$) and another one for the cross-section (in $\unit{m^{-2}}$). - + %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{1D Cartesian pusher} + \subsection{2D Cartesian pusher} + Moving particles in a simple 2D Cartesian space. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{1D Radial pusher} + Same implementation as 2D cylindrical pusher but direction $z$ is ignored. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{1D Cartesian pusher} + Moving particles in a simple 1D Cartesian space. Same implementation as in 2D Cartesian but $y$ direction is ignored. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Find new cell} @@ -338,12 +341,14 @@ make Type of geometry. Current accepted vaules are \begin{itemize} - \item \textbf{2DCyl}: Two-dimensional grid (z-r) with symmetry axis at $r = 0$. + \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. - \item \textbf{1DCart}: One-dimensional grid (x) in Cartesian coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. - \item \textbf{1DRad}: One-dimensional grid (r) in radial coordinates + \item \textbf{2DCart}: Two-dimensional grid ($x \hyphen y$) in Cartesian coordinates.. + For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $x$ and $y$ respectively. + \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. + \item \textbf{1DCart}: One-dimensional grid ($x$) in Cartesian coordinates + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. @@ -494,10 +499,14 @@ make Array dimension 'number of species'. Indicates the type of pusher used for each species: \begin{itemize} - \item \textbf{2DCylNeutral}: Pushes particles in a 2D z-r space without any external force. - \item \textbf{2DCylCharged}: Pushes particles in a 2D z-r space including the effect of the electrostatic field. - \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space accounting the the electrostatic field. - \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space (r) accounting the the electrostatic field. + \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. + \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. + \item \textbf{2DCartNeutral}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) without any external force. + \item \textbf{2DCartCharged}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) including the effect of the electrostatic field. + \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. + \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. + \item \textbf{1DCartNeutral}: Pushes particles in a 1D Cartesian space ($x$) without any external force. + \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space ($x$) accounting the the electrostatic field. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. diff --git a/src/makefile b/src/makefile index 3e151a3..004955c 100644 --- a/src/makefile +++ b/src/makefile @@ -4,7 +4,8 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleCompTime.o $(OBJDIR)/moduleSolv $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o \ - $(OBJDIR)/moduleMeshCyl.o $(OBJDIR)/moduleMeshCylRead.o $(OBJDIR)/moduleMeshCylBoundary.o \ + $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o $(OBJDIR)/moduleMesh2DCylBoundary.o \ + $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o $(OBJDIR)/moduleMesh2DCartBoundary.o \ $(OBJDIR)/moduleMesh1DCart.o $(OBJDIR)/moduleMesh1DCartRead.o $(OBJDIR)/moduleMesh1DCartBoundary.o \ $(OBJDIR)/moduleMesh1DRad.o $(OBJDIR)/moduleMesh1DRadRead.o $(OBJDIR)/moduleMesh1DRadBoundary.o diff --git a/src/modules/mesh/2DCart/makefile b/src/modules/mesh/2DCart/makefile new file mode 100644 index 0000000..312916b --- /dev/null +++ b/src/modules/mesh/2DCart/makefile @@ -0,0 +1,11 @@ +all : moduleMesh2DCart.o moduleMesh2DCartBoundary.o moduleMesh2DCartRead.o + +moduleMesh2DCart.o: moduleMesh2DCart.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +moduleMesh2DCartBoundary.o: moduleMesh2DCart.o moduleMesh2DCartBoundary.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +moduleMesh2DCartRead.o: moduleMesh2DCart.o moduleMesh2DCartBoundary.o moduleMesh2DCartRead.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 new file mode 100644 index 0000000..8718804 --- /dev/null +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -0,0 +1,1057 @@ +!moduleMesh2DCart: 2D Cartesian coordinate system +! x == x +! y == y +! z == unused +MODULE moduleMesh2DCart + USE moduleMesh + IMPLICIT NONE + + !Values for Gauss integral + REAL(8), PARAMETER:: corQuad(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) + REAL(8), PARAMETER:: wQuad(1:3) = (/ 5.D0/9.D0, 8.D0/9.D0, 5.D0/9.D0 /) + + REAL(8), PARAMETER:: xi1Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 3.D0/5.D0, 1.D0/5.D0 /) + REAL(8), PARAMETER:: xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) + REAL(8), PARAMETER:: wTria(1:4) = (/ -27.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0 /) + + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode2DCart + !Element coordinates + REAL(8):: x = 0.D0, y = 0.D0 + CONTAINS + PROCEDURE, PASS:: init => initNode2DCart + PROCEDURE, PASS:: getCoordinates => getCoord2DCart + + END TYPE meshNode2DCart + + TYPE, PUBLIC, EXTENDS(meshEdge):: meshEdge2DCart + !Element coordinates + REAL(8):: x(1:2) = 0.D0, y(1:2) = 0.D0 + !Connectivity to nodes + CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() + CONTAINS + PROCEDURE, PASS:: init => initEdge2DCart + PROCEDURE, PASS:: getNodes => getNodes2DCart + PROCEDURE, PASS:: randPos => randPosEdge + + END TYPE meshEdge2DCart + + !Boundary functions defined in the submodule Boundary + INTERFACE + MODULE SUBROUTINE reflection(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + END SUBROUTINE reflection + + MODULE SUBROUTINE absorption(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + END SUBROUTINE absorption + + MODULE SUBROUTINE wallTemperature(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + END SUBROUTINE wallTemperature + + MODULE SUBROUTINE transparent(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + END SUBROUTINE transparent + + END INTERFACE + + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCart + CONTAINS + PROCEDURE, PASS:: detJac => detJ2DCart + PROCEDURE, PASS:: invJac => invJ2DCart + PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi + PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi + PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer + + END TYPE meshVol2DCart + + ABSTRACT INTERFACE + PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + END FUNCTION fPsi_interface + + PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: dPsi(:,:) + + END FUNCTION dPsi_interface + + PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy) + IMPORT meshVol2DCart + CLASS(meshVol2DCart), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:,1:) + REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy + + END SUBROUTINE partialDer_interface + + END INTERFACE + + !Quadrilateral volume element + TYPE, PUBLIC, EXTENDS(meshVol2DCart):: meshVol2DCartQuad + !Element coordinates + REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0 + !Connectivity to nodes + CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() + !Connectivity to adjacent elements + CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() + REAL(8):: arNodes(1:4) = 0.D0 + + CONTAINS + PROCEDURE, PASS:: init => initVolQuad2DCart + PROCEDURE, PASS:: randPos => randPosVolQuad + PROCEDURE, PASS:: area => areaQuad + PROCEDURE, NOPASS:: fPsi => fPsiQuad + PROCEDURE, NOPASS:: dPsi => dPsiQuad + PROCEDURE, NOPASS:: dPsiXi1 => dPsiQuadXi1 + PROCEDURE, NOPASS:: dPsiXi2 => dPsiQuadXi2 + PROCEDURE, PASS:: partialDer => partialDerQuad + PROCEDURE, PASS:: elemK => elemKQuad + PROCEDURE, PASS:: elemF => elemFQuad + PROCEDURE, NOPASS:: weight => weightQuad + PROCEDURE, NOPASS:: inside => insideQuad + PROCEDURE, PASS:: scatter => scatterQuad + PROCEDURE, PASS:: gatherEF => gatherEFQuad + PROCEDURE, PASS:: getNodes => getNodesQuad + PROCEDURE, PASS:: phy2log => phy2logQuad + PROCEDURE, PASS:: nextElement => nextElementQuad + + END TYPE meshVol2DCartQuad + + !Triangular volume element + TYPE, PUBLIC, EXTENDS(meshVol2DCart):: meshVol2DCartTria + !Element coordinates + REAL(8):: x(1:3) = 0.D0, y(1:3) = 0.D0 + !Connectivity to nodes + CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() + !Connectivity to adjacent elements + CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() + REAL(8):: arNodes(1:3) = 0.D0 + + CONTAINS + PROCEDURE, PASS:: init => initVolTria2DCart + PROCEDURE, PASS:: randPos => randPosVolTria + PROCEDURE, PASS:: area => areaTria + PROCEDURE, NOPASS:: fPsi => fPsiTria + PROCEDURE, NOPASS:: dPsi => dPsiTria + PROCEDURE, NOPASS:: dPsiXi1 => dPsiTriaXi1 + PROCEDURE, NOPASS:: dPsiXi2 => dPsiTriaXi2 + PROCEDURE, PASS:: partialDer => partialDerTria + PROCEDURE, PASS:: elemK => elemKTria + PROCEDURE, PASS:: elemF => elemFTria + PROCEDURE, NOPASS:: weight => weightTria + PROCEDURE, NOPASS:: inside => insideTria + PROCEDURE, PASS:: scatter => scatterTria + PROCEDURE, PASS:: gatherEF => gatherEFTria + PROCEDURE, PASS:: getNodes => getNodesTria + PROCEDURE, PASS:: phy2log => phy2logTria + PROCEDURE, PASS:: nextElement => nextElementTria + + END TYPE meshVol2DCartTria + + CONTAINS + !NODE FUNCTIONS + !Inits node element + SUBROUTINE initNode2DCart(self, n, r) + USE moduleSpecies + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshNode2DCart), INTENT(out):: self + INTEGER, INTENT(in):: n + REAL(8), INTENT(in):: r(1:3) + + self%n = n + self%x = r(1)/L_ref + self%y = r(2)/L_ref + !Node volume, to be determined in mesh + self%v = 0.D0 + + !Allocates output: + ALLOCATE(self%output(1:nSpecies)) + + END SUBROUTINE initNode2DCart + + !Get coordinates from node + PURE FUNCTION getCoord2DCart(self) RESULT(r) + IMPLICIT NONE + + CLASS(meshNode2DCart), INTENT(in):: self + REAL(8):: r(1:3) + + r = (/self%x, self%y, 0.D0/) + + END FUNCTION getCoord2DCart + + !EDGE FUNCTIONS + !Inits edge element + SUBROUTINE initEdge2DCart(self, n, p, bt, physicalSurface) + USE moduleSpecies + USE moduleBoundary + USE moduleErrors + IMPLICIT NONE + + CLASS(meshEdge2DCart), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + INTEGER, INTENT(in):: bt + INTEGER, INTENT(in):: physicalSurface + REAL(8), DIMENSION(1:3):: r1, r2 + INTEGER:: s + + self%n = n + self%n1 => mesh%nodes(p(1))%obj + self%n2 => mesh%nodes(p(2))%obj + !Get element coordinates + r1 = self%n1%getCoordinates() + r2 = self%n2%getCoordinates() + self%x = (/r1(1), r2(1)/) + self%y = (/r1(2), r2(2)/) + !Normal vector + self%normal = (/ self%y(2)-self%y(1), & + self%x(2)-self%x(1), & + 0.D0 /) + !Boundary index + self%boundary => boundary(bt) + ALLOCATE(self%fboundary(1:nSpecies)) + !Assign functions to boundary + DO s = 1, nSpecies + SELECT TYPE(obj => self%boundary%bTypes(s)%obj) + TYPE IS(boundaryAbsorption) + self%fBoundary(s)%apply => absorption + + TYPE IS(boundaryReflection) + self%fBoundary(s)%apply => reflection + + TYPE IS(boundaryTransparent) + self%fBoundary(s)%apply => transparent + + TYPE IS(boundaryWallTemperature) + self%fBoundary(s)%apply => wallTemperature + + CLASS DEFAULT + CALL criticalError("Boundary type not defined in this geometry", 'initEdge2DCart') + + END SELECT + + END DO + + !Physical surface + self%physicalSurface = physicalSurface + + END SUBROUTINE initEdge2DCart + + !Random position in quadrilateral volume + FUNCTION randPosVolQuad(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + xii(1) = random(-1.D0, 1.D0) + xii(2) = random(-1.D0, 1.D0) + xii(3) = 0.D0 + + fPsi = self%fPsi(xii) + + r(1) = DOT_PRODUCT(fPsi, self%x) + r(2) = DOT_PRODUCT(fPsi, self%y) + r(3) = 0.D0 + + END FUNCTION randposVolQuad + + !Get nodes from edge + PURE FUNCTION getNodes2DCart(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshEdge2DCart), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + ALLOCATE(n(1:2)) + n = (/self%n1%n, self%n2%n /) + + END FUNCTION getNodes2DCart + + !Calculates a random position in edge + FUNCTION randPosEdge(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshEdge2DCart), INTENT(in):: self + REAL(8):: rnd + REAL(8):: r(1:3) + REAL(8):: p1(1:2), p2(1:2) + + rnd = random() + + p1 = (/self%x(1), self%y(1) /) + p2 = (/self%x(2), self%y(2) /) + r(1:2) = (1.D0 - rnd)*p1 + rnd*p2 + r(3) = 0.D0 + + END FUNCTION randPosEdge + + !VOLUME FUNCTIONS + !QUAD FUNCTIONS + !Inits quadrilateral element + SUBROUTINE initVolQuad2DCart(self, n, p) + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 + + self%n = n + self%n1 => mesh%nodes(p(1))%obj + self%n2 => mesh%nodes(p(2))%obj + self%n3 => mesh%nodes(p(3))%obj + self%n4 => mesh%nodes(p(4))%obj + !Get element coordinates + r1 = self%n1%getCoordinates() + r2 = self%n2%getCoordinates() + r3 = self%n3%getCoordinates() + r4 = self%n4%getCoordinates() + self%x = (/r1(1), r2(1), r3(1), r4(1)/) + self%y = (/r1(2), r2(2), r3(2), r4(2)/) + + !Assign node volume + CALL self%area() + self%n1%v = self%n1%v + self%arNodes(1) + self%n2%v = self%n2%v + self%arNodes(2) + self%n3%v = self%n3%v + self%arNodes(3) + self%n4%v = self%n4%v + self%arNodes(4) + + self%sigmaVrelMax = sigma_ref/L_ref**2 + + CALL OMP_INIT_LOCK(self%lock) + + END SUBROUTINE initVolQuad2DCart + + !Computes element area + PURE SUBROUTINE areaQuad(self) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout):: self + REAL(8):: xi(1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:4) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + xi = 0.D0 + detJ = self%detJac(xi)*4.D0 !4*2*pi + fPsi = self%fPsi(xi) + self%volume = detJ + self%arNodes = fPsi*detJ + + END SUBROUTINE areaQuad + + !Computes element functions in point xi + PURE FUNCTION fPsiQuad(xi) RESULT(fPsi) + IMPLICIT NONE + + REAL(8),INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + ALLOCATE(fPsi(1:4)) + + fPsi(1) = (1.D0-xi(1))*(1.D0-xi(2)) + fPsi(2) = (1.D0+xi(1))*(1.D0-xi(2)) + fPsi(3) = (1.D0+xi(1))*(1.D0+xi(2)) + fPsi(4) = (1.D0-xi(1))*(1.D0+xi(2)) + fPsi = fPsi*0.25D0 + + END FUNCTION fPsiQuad + + !Derivative element function at coordinates xi + PURE FUNCTION dPsiQuad(xi) RESULT(dPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: dPsi(:,:) + + ALLOCATE(dPsi(1:2,1:4)) + + dPsi(1,:) = dPsiQuadXi1(xi(2)) + dPsi(2,:) = dPsiQuadXi2(xi(1)) + + END FUNCTION dPsiQuad + + !Derivative element function (xi1) + PURE FUNCTION dPsiQuadXi1(xi2) RESULT(dPsiXi1) + IMPLICIT NONE + + REAL(8),INTENT(in):: xi2 + REAL(8):: dPsiXi1(1:4) + + dPsiXi1(1) = -(1.D0-xi2) + dPsiXi1(2) = (1.D0-xi2) + dPsiXi1(3) = (1.D0+xi2) + dPsiXi1(4) = -(1.D0+xi2) + dPsiXi1 = dPsiXi1*0.25D0 + + END FUNCTION dPsiQuadXi1 + + !Derivative element function (xi2) + PURE FUNCTION dPsiQuadXi2(xi1) RESULT(dPsiXi2) + IMPLICIT NONE + + REAL(8),INTENT(in):: xi1 + REAL(8):: dPsiXi2(1:4) + + dPsiXi2(1) = -(1.D0-xi1) + dPsiXi2(2) = -(1.D0+xi1) + dPsiXi2(3) = (1.D0+xi1) + dPsiXi2(4) = (1.D0-xi1) + dPsiXi2 = dPsiXi2*0.25D0 + + END FUNCTION dPsiQuadXi2 + + PURE SUBROUTINE partialDerQuad(self, dPsi, dx, dy) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:,1:) + REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy + + dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) + dx(2) = DOT_PRODUCT(dPsi(2,:),self%x) + dy(1) = DOT_PRODUCT(dPsi(1,:),self%y) + dy(2) = DOT_PRODUCT(dPsi(2,:),self%y) + + END SUBROUTINE partialDerQuad + + !Computes element local stiffness matrix + PURE FUNCTION elemKQuad(self) RESULT(ke) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8):: xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:2,1:4) + REAL(8):: ke(1:4,1:4) + REAL(8):: invJ(1:2,1:2), detJ + INTEGER:: l, m + + ke=0.D0 + xi=0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 3 + xi(2) = corQuad(l) + dPsi(1,:) = self%dPsiXi1(xi(2)) + DO m = 1, 3 + xi(1) = corQuad(m) + dPsi(2,:) = self%dPsiXi2(xi(1)) + fPsi = self%fPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ + + END DO + END DO + + END FUNCTION elemKQuad + + !Computes the local source vector for a force f + PURE FUNCTION elemFQuad(self, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: source(1:) + REAL(8), ALLOCATABLE:: localF(:) + REAL(8):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: detJ, f + INTEGER:: l, m + + ALLOCATE(localF(1:4)) + localF = 0.D0 + xi = 0.D0 + DO l=1, 3 + xi(1) = corQuad(l) + DO m = 1, 3 + xi(2) = corQuad(m) + detJ = self%detJac(xi) + fPsi = self%fPsi(xi) + f = DOT_PRODUCT(fPsi,source) + localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ + + END DO + END DO + + END FUNCTION elemFQuad + + !Computes weights in the element nodes + PURE FUNCTION weightQuad(xi) RESULT(w) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: w(1:4) + + w = fPsiQuad(xi) + + END FUNCTION weightQuad + + !Checks if a particle is inside a quad element + PURE FUNCTION insideQuad(xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + LOGICAL:: ins + + ins = (xi(1) >= -1.D0 .AND. xi(1) <= 1.D0) .AND. & + (xi(2) >= -1.D0 .AND. xi(2) <= 1.D0) + + END FUNCTION insideQuad + + !Scatter properties of particle into element nodes + SUBROUTINE scatterQuad(self, part) + USE moduleOutput + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + CLASS(particle), INTENT(in):: part + TYPE(outputNode), POINTER:: vertex + REAL(8):: w_p(1:4) + REAL(8):: tensorS(1:3,1:3) + + w_p = self%weight(part%xi) + tensorS = outerProduct(part%v, part%v) + + vertex => self%n1%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(1) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + + vertex => self%n2%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(2) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + + vertex => self%n3%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(3) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + + vertex => self%n4%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(4) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + + END SUBROUTINE scatterQuad + + !Gathers the electric field at position xi + PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: dPsi(1:2,1:4) + REAL(8):: dPsiR(1:2,1:4)!Derivative of shpae functions in global coordinates + REAL(8):: invJ(1:2,1:2), detJ + REAL(8):: phi(1:4) + REAL(8):: EF(1:3) + + phi = (/self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi, & + self%n4%emData%phi /) + + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + dPsiR = MATMUL(invJ, dPsi)/detJ + EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) + EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) + EF(3) = 0.D0 + + END FUNCTION gatherEFQuad + + !Gets nodes from quadrilateral element + PURE FUNCTION getNodesQuad(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + ALLOCATE(n(1:4)) + n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) + + END FUNCTION getNodesQuad + + !Transforms physical coordinates to element coordinates + PURE FUNCTION phy2logQuad(self,r) RESULT(xN) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: r(1:3) + REAL(8):: xN(1:3) + REAL(8):: xO(1:3), detJ, invJ(1:2,1:2), f(1:2) + REAL(8):: dPsi(1:2,1:4), fPsi(1:4) + REAL(8):: conv + + !Iterative newton method to transform coordinates + conv=1.D0 + xO=0.D0 + + DO WHILE(conv>1.D-4) + dPsi = self%dPsi(xO) + invJ = self%invJac(xO, dPsi) + fPsi = self%fPsi(xO) + f(1) = DOT_PRODUCT(fPsi,self%x)-r(1) + f(2) = DOT_PRODUCT(fPsi,self%y)-r(2) + detJ = self%detJac(xO,dPsi) + xN(1:2)=xO(1:2) - MATMUL(invJ, f)/detJ + conv=MAXVAL(DABS(xN-xO),1) + xO=xN + + END DO + + END FUNCTION phy2logQuad + + !Gets the next element for a logical position xi + SUBROUTINE nextElementQuad(self, xi, nextElement) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + CLASS(*), POINTER, INTENT(out):: nextElement + REAL(8):: xiArray(1:4) + INTEGER:: nextInt + + xiArray = (/ -xi(2), xi(1), xi(2), -xi(1) /) + nextInt = MAXLOC(xiArray,1) + !Selects the higher value of directions and searches in that direction + NULLIFY(nextElement) + SELECT CASE (nextInt) + CASE (1) + nextElement => self%e1 + CASE (2) + nextElement => self%e2 + CASE (3) + nextElement => self%e3 + CASE (4) + nextElement => self%e4 + END SELECT + + END SUBROUTINE nextElementQuad + + !TRIA ELEMENT + !Init tria element + SUBROUTINE initVolTria2DCart(self, n, p) + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + REAL(8), DIMENSION(1:3):: r1, r2, r3 + REAL(8):: A + + !Assign node index + self%n = n + + !Assign nodes to element + self%n1 => mesh%nodes(p(1))%obj + self%n2 => mesh%nodes(p(2))%obj + self%n3 => mesh%nodes(p(3))%obj + !Get element coordinates + r1 = self%n1%getCoordinates() + r2 = self%n2%getCoordinates() + r3 = self%n3%getCoordinates() + self%x = (/r1(1), r2(1), r3(1)/) + self%y = (/r1(2), r2(2), r3(2)/) + !Assign node volume + CALL self%area() + self%n1%v = self%n1%v + self%arNodes(1) + self%n2%v = self%n2%v + self%arNodes(2) + self%n3%v = self%n3%v + self%arNodes(3) + + self%sigmaVrelMax = sigma_ref/L_ref**2 + + CALL OMP_INIT_LOCK(self%lock) + + END SUBROUTINE initVolTria2DCart + + !Random position in quadrilateral volume + FUNCTION randPosVolTria(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + xii(1) = random( 0.D0, 1.D0) + xii(2) = random( 0.D0, 1.D0) + xii(3) = 0.D0 + + fPsi = self%fPsi(xii) + + r(1) = DOT_PRODUCT(fPsi, self%x) + r(2) = DOT_PRODUCT(fPsi, self%y) + r(3) = 0.D0 + + END FUNCTION randposVolTria + + !Calculates area for triangular element + PURE SUBROUTINE areaTria(self) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(inout):: self + REAL(8):: xi(1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:3) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) + detJ = self%detJac(xi)/2.D0 + fPsi = self%fPsi(xi) + self%volume = detJ + self%arNodes = fPsi*detJ + + END SUBROUTINE areaTria + + !Shape functions for triangular element + PURE FUNCTION fPsiTria(xi) RESULT(fPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + ALLOCATE(fPsi(1:3)) + + fPsi(1) = 1.D0 - xi(1) - xi(2) + fPsi(2) = xi(1) + fPsi(3) = xi(2) + + END FUNCTION fPsiTria + + !Derivative element function at coordinates xi + PURE FUNCTION dPsiTria(xi) RESULT(dPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: dPsi(:,:) + + ALLOCATE(dPsi(1:2,1:3)) + + dPsi(1,:) = dPsiTriaXi1(xi(2)) + dPsi(2,:) = dPsiTriaXi2(xi(1)) + + END FUNCTION dPsiTria + + !Derivative element function (xi1) + PURE FUNCTION dPsiTriaXi1(xi2) RESULT(dPsiXi1) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi2 + REAL(8):: dPsiXi1(1:3) + + dPsiXi1(1) = -1.D0 + dPsiXi1(2) = 1.D0 + dPsiXi1(3) = 0.D0 + + END FUNCTION dPsiTriaXi1 + + !Derivative element function (xi1) + PURE FUNCTION dPsiTriaXi2(xi1) RESULT(dPsiXi2) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi1 + REAL(8):: dPsiXi2(1:3) + + dPsiXi2(1) = -1.D0 + dPsiXi2(2) = 0.D0 + dPsiXi2(3) = 1.D0 + + END FUNCTION dPsiTriaXi2 + + PURE SUBROUTINE partialDerTria(self, dPsi, dx, dy) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:,1:) + REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy + + dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) + dx(2) = DOT_PRODUCT(dPsi(2,:),self%x) + dy(1) = DOT_PRODUCT(dPsi(1,:),self%y) + dy(2) = DOT_PRODUCT(dPsi(2,:),self%y) + + END SUBROUTINE partialDerTria + + !Computes element local stiffness matrix + PURE FUNCTION elemKTria(self) RESULT(ke) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8):: xi(1:3) + REAL(8):: fPsi(1:3), dPsi(1:2,1:3) + REAL(8):: ke(1:3,1:3) + REAL(8):: invJ(1:2,1:2), detJ + INTEGER:: l + + ke=0.D0 + xi=0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + xi(1) = xi1Tria(l) + xi(2) = xi2Tria(l) + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + fPsi = self%fPsi(xi) + ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ + + END DO + + END FUNCTION elemKTria + + !Computes element local source vector + PURE FUNCTION elemFTria(self, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: source(1:) + REAL(8), ALLOCATABLE:: localF(:) + REAL(8):: fPsi(1:3) + REAL(8):: xi(1:3) + REAL(8):: detJ, f + INTEGER:: l + + ALLOCATE(localF(1:3)) + localF = 0.D0 + xi = 0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + xi(1) = xi1Tria(l) + xi(2) = xi2Tria(l) + detJ = self%detJac(xi) + fPsi = self%fPsi(xi) + f = DOT_PRODUCT(fPsi,source) + localF = localF + f*fPsi*wTria(l)*detJ + + END DO + + END FUNCTION elemFTria + + !Computes weights in the element nodes + PURE FUNCTION weightTria(xi) RESULT(w) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: w(:) + + w = fPsiTria(xi) + + END FUNCTION weightTria + + PURE FUNCTION insideTria(xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + LOGICAL:: ins + + ins = xi(1) >= 0.D0 .AND. & + xi(2) >= 0.D0 .AND. & + 1.D0 - xi(1) - xi(2) >= 0.D0 + + END FUNCTION insideTria + + !Scatter properties of particles into element + SUBROUTINE scatterTria(self, part) + USE moduleOutput + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + CLASS(particle), INTENT(in):: part + TYPE(outputNode), POINTER:: vertex + REAL(8):: w_p(1:3) + REAL(8):: tensorS(1:3,1:3) + + w_p = self%weight(part%xi) + tensorS = outerProduct(part%v, part%v) + + vertex => self%n1%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(1) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + + vertex => self%n2%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(2) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + + vertex => self%n3%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(3) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + + END SUBROUTINE scatterTria + + !Gathers the electric field at position xi + PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: dPsi(1:2,1:3) + REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates + REAL(8):: invJ(1:2,1:2), detJ + REAL(8):: phi(1:3) + REAL(8):: dummy + REAL(8):: EF(1:3) + + phi = (/self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi /) + + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + dPsiR = MATMUL(invJ, dPsi)/detJ + EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) + EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) + EF(3) = 0.D0 + + END FUNCTION gatherEFTria + + !Gets node indexes from triangular element + PURE FUNCTION getNodesTria(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + ALLOCATE(n(1:3)) + n = (/self%n1%n, self%n2%n, self%n3%n /) + + END FUNCTION getNodesTria + + !Transforms physical coordinates to element coordinates + PURE FUNCTION phy2logTria(self,r) RESULT(xi) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: r(1:3) + REAL(8):: xi(1:3) + REAL(8):: invJ(1:2,1:2), detJ + REAL(8):: deltaR(1:2) + REAL(8):: dPsi(1:2,1:3) + + !Direct method to convert coordinates + xi = 0.D0 !Irrelevant, required for input + deltaR = (/ r(1) - self%x(1), r(2) - self%y(1) /) + dPsi = self%dPsi(xi) + invJ = self%invJac(xi, dPsi) + detJ = self%detJac(xi, dPsi) + xi(1:2) = MATMUL(invJ,deltaR)/detJ + + END FUNCTION phy2logTria + + SUBROUTINE nextElementTria(self, xi, nextElement) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + CLASS(*), POINTER, INTENT(out):: nextElement + REAL(8):: xiArray(1:3) + INTEGER:: nextInt + + xiArray = (/ xi(2), 1.D0-xi(1)-xi(2), xi(1) /) + nextInt = MINLOC(xiArray,1) + NULLIFY(nextElement) + SELECT CASE (nextInt) + CASE (1) + nextElement => self%e1 + CASE (2) + nextElement => self%e2 + CASE (3) + nextElement => self%e3 + END SELECT + + END SUBROUTINE nextElementTria + + !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 2D + !Computes element Jacobian determinant + PURE FUNCTION detJ2DCart(self, xi, dPsi_in) RESULT(dJ) + IMPLICIT NONE + + CLASS(meshVol2DCart), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) + REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dJ + REAL(8):: dx(1:2), dy(1:2) + + IF(PRESENT(dPsi_in)) THEN + dPsi = dPsi_in + + ELSE + dPsi = self%dPsi(xi) + + END IF + + CALL self%partialDer(dPsi, dx, dy) + dJ = dx(1)*dy(2)-dx(2)*dy(1) + + END FUNCTION detJ2DCart + + !Computes element Jacobian inverse matrix (without determinant) + PURE FUNCTION invJ2DCart(self,xi,dPsi_in) RESULT(invJ) + IMPLICIT NONE + + CLASS(meshVol2DCart), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) + REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dx(1:2), dy(1:2) + REAL(8):: invJ(1:2,1:2) + + IF(PRESENT(dPsi_in)) THEN + dPsi=dPsi_in + + ELSE + dPsi = self%dPsi(xi) + + END IF + + CALL self%partialDer(dPsi, dx, dy) + invJ(1,:) = (/ dy(2), -dx(2) /) + invJ(2,:) = (/ -dy(1), dx(1) /) + + END FUNCTION invJ2DCart + +END MODULE moduleMesh2DCart diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 new file mode 100644 index 0000000..e4cbe1c --- /dev/null +++ b/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 @@ -0,0 +1,154 @@ +!moduleMesh2DCartBoundary: Boundary functions for cylindrical coordinates +SUBMODULE (moduleMesh2DCart) moduleMesh2DCartBoundary + USE moduleMesh2DCart + + CONTAINS + SUBROUTINE reflection(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) + + !TODO: Try to do this without select + SELECT TYPE(edge) + TYPE IS(meshEdge2DCart) + edgeNorm = DSQRT((edge%y(2)-edge%y(1))**2 + (edge%x(2)-edge%x(1))**2) + cosT = (edge%x(2)-edge%x(1))/edgeNorm + sinT = DSQRT(1-cosT**2) + + rp(1) = part%r(1) - edge%x(1); + rp(2) = part%r(2) - edge%y(1); + + rpp(1) = cosT*rp(1) - sinT*rp(2) + rpp(2) = sinT*rp(1) + cosT*rp(2) + rpp(2) = -rpp(2) + + vpp(1) = cosT*part%v(1) - sinT*part%v(2) + vpp(2) = sinT*part%v(1) + cosT*part%v(2) + vpp(2) = -vpp(2) + + part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%x(1); + part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%y(1); + part%v(1) = cosT*vpp(1) + sinT*vpp(2) + part%v(2) = -sinT*vpp(1) + cosT*vpp(2) + + END SELECT + + part%n_in = .TRUE. + + END SUBROUTINE reflection + + !Absoption in a surface + SUBROUTINE absorption(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + REAL(8):: rEdge(1:2) !Position of particle projected to the edge + REAL(8):: a, b, c + REAL(8):: a2b2 + REAL(8):: d !Distance from particle to edge + + SELECT TYPE(edge) + TYPE IS(meshEdge2DCart) + a = (edge%x(1) - edge%x(2)) + b = (edge%y(1) - edge%y(2)) + c = edge%x(1)*edge%y(2) - edge%x(2)*edge%y(1) + + a2b2 = a**2 + b**2 + + rEdge(1) = (b*( b*part%r(1) - a*part%r(2)) - a*c)/a2b2 + rEdge(2) = (a*(-b*part%r(1) + a*part%r(2)) - b*c)/a2b2 + + d = NORM2(rEdge - part%r(1:2)) + !Reduce weight of particle by the distance to the edge and move it to the edge + IF (d > 0.D0) THEN + part%weight = part%weight / d + part%r(1:2) = rEdge + + END IF + + !Scatter particle in associated volume + IF (ASSOCIATED(edge%e1)) THEN + CALL edge%e1%scatter(part) + + ELSE + CALL edge%e2%scatter(part) + + END IF + + END SELECT + + !Remove particle from the domain + part%n_in = .FALSE. + + END SUBROUTINE absorption + + !Transparent boundary condition + SUBROUTINE transparent(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + !Removes particle from domain + part%n_in = .FALSE. + + END SUBROUTINE transparent + + !Wall with temperature + SUBROUTINE wallTemperature(edge, part) + USE moduleSpecies + USE moduleBoundary + USE moduleRandom + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) + INTEGER:: i + + !Modifies particle velocity according to wall temperature + SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) + TYPE IS(boundaryWallTemperature) + DO i = 1, 3 + part%v(i) = part%v(i) + bound%vTh*randomMaxwellian() + + END DO + + END SELECT + + !Reflects particle in the edge + SELECT TYPE(edge) + TYPE IS(meshEdge2DCart) + edgeNorm = DSQRT((edge%y(2)-edge%y(1))**2 + (edge%x(2)-edge%x(1))**2) + cosT = (edge%x(2)-edge%x(1))/edgeNorm + sinT = DSQRT(1-cosT**2) + + rp(1) = part%r(1) - edge%x(1); + rp(2) = part%r(2) - edge%y(1); + + rpp(1) = cosT*rp(1) - sinT*rp(2) + rpp(2) = sinT*rp(1) + cosT*rp(2) + rpp(2) = -rpp(2) + + vpp(1) = cosT*part%v(1) - sinT*part%v(2) + vpp(2) = sinT*part%v(1) + cosT*part%v(2) + vpp(2) = -vpp(2) + + part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%x(1); + part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%y(1); + part%v(1) = cosT*vpp(1) + sinT*vpp(2) + part%v(2) = -sinT*vpp(1) + cosT*vpp(2) + + END SELECT + + part%n_in = .TRUE. + + END SUBROUTINE wallTemperature + +END SUBMODULE moduleMesh2DCartBoundary diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 new file mode 100644 index 0000000..db537c6 --- /dev/null +++ b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 @@ -0,0 +1,599 @@ +MODULE moduleMesh2DCartRead + USE moduleMesh + USE moduleMesh2DCart + + TYPE, EXTENDS(meshGeneric):: mesh2DCartGeneric + CONTAINS + PROCEDURE, PASS:: init => init2DCartMesh + PROCEDURE, PASS:: readMesh => readMesh2DCartGmsh + + END TYPE + + INTERFACE connected + MODULE PROCEDURE connectedVolVol, connectedVolEdge + + END INTERFACE connected + + CONTAINS + !Init mesh + SUBROUTINE init2DCartMesh(self, meshFormat) + USE moduleMesh + USE moduleErrors + IMPLICIT NONE + + CLASS(mesh2DCartGeneric), INTENT(out):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat + + SELECT CASE(meshFormat) + CASE ("gmsh") + self%printOutput => printOutputGmsh + self%printColl => printCollGmsh + self%printEM => printEMGmsh + + CASE DEFAULT + CALL criticalError("Mesh type " // meshFormat // " not supported.", "init2DCartMesh") + + END SELECT + + END SUBROUTINE init2DCartMesh + + !Read mesh from gmsh file + SUBROUTINE readMesh2DCartGmsh(self, filename) + USE moduleBoundary + IMPLICIT NONE + + CLASS(mesh2DCartGeneric), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8):: x, y + INTEGER:: p(1:4) + INTEGER:: e=0, et=0, n=0, eTemp=0, elemType=0, bt = 0 + INTEGER:: totalNumElem + INTEGER:: boundaryType + + !Read msh + OPEN(10, FILE=TRIM(filename)) + !Skip header + READ(10, *) + READ(10, *) + READ(10, *) + READ(10, *) + !Read number of nodes + READ(10, *) self%numNodes + !Allocate required matrices and vectors + ALLOCATE(self%nodes(1:self%numNodes)) + ALLOCATE(self%K(1:self%numNodes,1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes,1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + !Read nodes cartesian coordinates (x=x, y=y, z=null) + DO e=1, self%numNodes + READ(10, *) n, x, y + ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x, y, 0.D0 /)) + + END DO + !Skips comments + READ(10, *) + READ(10, *) + !Reads Totalnumber of elements + READ(10, *) TotalnumElem + !counts edges and volume elements + self%numEdges = 0 + DO e=1, TotalnumElem + READ(10,*) eTemp, elemType + IF (elemType==1) THEN + self%numEdges=e + END IF + END DO + !Substract the number of edges to the total number of elements + !to obtain the number of volume elements + self%numVols = TotalnumElem - self%numEdges + !Allocates arrays + ALLOCATE(self%edges(1:self%numEdges)) + ALLOCATE(self%vols(1:self%numVols)) + + !Go back to the beggining to read elements + DO e=1, totalNumElem + BACKSPACE(10) + END DO + + !Reads edges + DO e=1, self%numEdges + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) + + END DO + + !Read and initialize volumes + DO e=1, self%numVols + READ(10,*) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE (2) + !Triangular element + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) + + CASE (3) + !Quadrilateral element + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) + + END SELECT + + END DO + + CLOSE(10) + + !Build connectivity between elements + DO e = 1, self%numVols + !Connectivity between volumes + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connected(self%vols(e)%obj, self%vols(et)%obj) + + END IF + END DO + + !Connectivity between vols and edges + DO et = 1, self%numEdges + CALL connected(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + !Constructs the global K matrix + CALL constructGlobalK(self%K, self%vols(e)%obj) + + END DO + + END SUBROUTINE readMesh2DCartGmsh + + !Selects type of elements to build connection + SUBROUTINE connectedVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol2DCartQuad) + !Element A is a quadrilateral + SELECT TYPE(elemB) + TYPE IS(meshVol2DCartQuad) + !Element B is a quadrilateral + CALL connectedQuadQuad(elemA, elemB) + + TYPE IS(meshVol2DCartTria) + !Element B is a triangle + CALL connectedQuadTria(elemA, elemB) + + END SELECT + + TYPE IS(meshVol2DCartTria) + !Element A is a Triangle + SELECT TYPE(elemB) + TYPE IS(meshVol2DCartQuad) + !Element B is a quadrilateral + CALL connectedQuadTria(elemB, elemA) + + TYPE IS(meshVol2DCartTria) + !Element B is a triangle + CALL connectedTriaTria(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectedVolVol + + SUBROUTINE connectedVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemB) + CLASS IS(meshEdge2DCart) + SELECT TYPE(elemA) + TYPE IS(meshVol2DCartQuad) + !Element A is a quadrilateral + CALL connectedQuadEdge(elemA, elemB) + + TYPE IS(meshVol2DCartTria) + !Element A is a triangle + CALL connectedTriaEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectedVolEdge + + SUBROUTINE connectedQuadQuad(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n4%n) THEN + elemA%e2 => elemB + elemB%e4 => elemA + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3) .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4) .AND. & + elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + END IF + + END SUBROUTINE connectedQuadQuad + + SUBROUTINE connectedQuadTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e4 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + END IF + + END IF + + END SUBROUTINE connectedQuadTria + + SUBROUTINE connectedTriaTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + END SUBROUTINE connectedTriaTria + + SUBROUTINE connectedQuadEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + END IF + + END IF + + END SUBROUTINE connectedQuadEdge + + SUBROUTINE connectedTriaEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + END IF + + END SUBROUTINE connectedTriaEdge + + SUBROUTINE constructGlobalK(K, elem) + IMPLICIT NONE + + REAL(8), INTENT(inout):: K(1:,1:) + CLASS(meshVol), INTENT(in):: elem + REAL(8), ALLOCATABLE:: localK(:,:) + INTEGER:: nNodes, i, j + INTEGER, ALLOCATABLE:: n(:) + + SELECT TYPE(elem) + TYPE IS(meshVol2DCartQuad) + nNodes = 4 + ALLOCATE(localK(1:nNodes,1:nNodes)) + localK = elem%elemK() + ALLOCATE(n(1:nNodes)) + n = (/ elem%n1%n, elem%n2%n, & + elem%n3%n, elem%n4%n /) + + TYPE IS(meshVol2DCartTria) + nNodes = 3 + ALLOCATE(localK(1:nNodes,1:nNodes)) + localK = elem%elemK() + ALLOCATE(n(1:nNodes)) + n = (/ elem%n1%n, elem%n2%n, elem%n3%n /) + + CLASS DEFAULT + nNodes = 0 + ALLOCATE(localK(1:1, 1:1)) + localK = 0.D0 + ALLOCATE(n(1:1)) + n = 0 + + END SELECT + + DO i = 1, nNodes + DO j = 1, nNodes + K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) + END DO + END DO + + END SUBROUTINE constructGlobalK + +END MODULE moduleMesh2DCartRead diff --git a/src/modules/mesh/2DCyl/makefile b/src/modules/mesh/2DCyl/makefile index 73cd926..fd8e453 100644 --- a/src/modules/mesh/2DCyl/makefile +++ b/src/modules/mesh/2DCyl/makefile @@ -1,11 +1,11 @@ -all : moduleMeshCyl.o moduleMeshCylBoundary.o moduleMeshCylRead.o +all : moduleMesh2DCyl.o moduleMesh2DCylBoundary.o moduleMesh2DCylRead.o -moduleMeshCyl.o: moduleMeshCyl.f90 +moduleMesh2DCyl.o: moduleMesh2DCyl.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMeshCylBoundary.o: moduleMeshCyl.o moduleMeshCylBoundary.f90 +moduleMesh2DCylBoundary.o: moduleMesh2DCyl.o moduleMesh2DCylBoundary.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMeshCylRead.o: moduleMeshCyl.o moduleMeshCylBoundary.o moduleMeshCylRead.f90 +moduleMesh2DCylRead.o: moduleMesh2DCyl.o moduleMesh2DCylBoundary.o moduleMesh2DCylRead.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/2DCyl/moduleMeshCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 similarity index 88% rename from src/modules/mesh/2DCyl/moduleMeshCyl.f90 rename to src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index ad377dc..da1b620 100644 --- a/src/modules/mesh/2DCyl/moduleMeshCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -1,8 +1,8 @@ -!moduleMeshCyl: 2D axial symmetric extension of generic mesh from GMSH format. +!moduleMesh2DCyl: 2D axial symmetric extension of generic mesh from GMSH format. ! x == z ! y == r ! z == theta (unused) -MODULE moduleMeshCyl +MODULE moduleMesh2DCyl USE moduleMesh IMPLICIT NONE @@ -14,26 +14,26 @@ MODULE moduleMeshCyl REAL(8), PARAMETER:: xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) REAL(8), PARAMETER:: wTria(1:4) = (/ -27.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0 /) - TYPE, PUBLIC, EXTENDS(meshNode):: meshNodeCyl + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode2DCyl !Element coordinates REAL(8):: r = 0.D0, z = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initNodeCyl - PROCEDURE, PASS:: getCoordinates => getCoordCyl + PROCEDURE, PASS:: init => initNode2DCyl + PROCEDURE, PASS:: getCoordinates => getCoord2DCyl - END TYPE meshNodeCyl + END TYPE meshNode2DCyl - TYPE, PUBLIC, EXTENDS(meshEdge):: meshEdgeCyl + TYPE, PUBLIC, EXTENDS(meshEdge):: meshEdge2DCyl !Element coordinates REAL(8):: r(1:2) = 0.D0, z(1:2) = 0.D0 !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() CONTAINS - PROCEDURE, PASS:: init => initEdgeCyl - PROCEDURE, PASS:: getNodes => getNodesCyl + PROCEDURE, PASS:: init => initEdge2DCyl + PROCEDURE, PASS:: getNodes => getNodes2DCyl PROCEDURE, PASS:: randPos => randPosEdge - END TYPE meshEdgeCyl + END TYPE meshEdge2DCyl !Boundary functions defined in the submodule Boundary INTERFACE @@ -84,15 +84,15 @@ MODULE moduleMeshCyl END INTERFACE - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVolCyl + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCyl CONTAINS - PROCEDURE, PASS:: detJac => detJCyl - PROCEDURE, PASS:: invJac => invJCyl + PROCEDURE, PASS:: detJac => detJ2DCyl + PROCEDURE, PASS:: invJac => invJ2DCyl PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - END TYPE meshVolCyl + END TYPE meshVol2DCyl ABSTRACT INTERFACE PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) @@ -108,8 +108,8 @@ MODULE moduleMeshCyl END FUNCTION dPsi_interface PURE SUBROUTINE partialDer_interface(self, dPsi, dz, dr) - IMPORT meshVolCyl - CLASS(meshVolCyl), INTENT(in):: self + IMPORT meshVol2DCyl + CLASS(meshVol2DCyl), INTENT(in):: self REAL(8), INTENT(in):: dPsi(1:,1:) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr @@ -118,7 +118,7 @@ MODULE moduleMeshCyl END INTERFACE !Quadrilateral volume element - TYPE, PUBLIC, EXTENDS(meshVolCyl):: meshVolCylQuad + TYPE, PUBLIC, EXTENDS(meshVol2DCyl):: meshVol2DCylQuad !Element coordinates REAL(8):: r(1:4) = 0.D0, z(1:4) = 0.D0 !Connectivity to nodes @@ -128,7 +128,7 @@ MODULE moduleMeshCyl REAL(8):: arNodes(1:4) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initVolQuadCyl + PROCEDURE, PASS:: init => initVolQuad2DCyl PROCEDURE, PASS:: randPos => randPosVolQuad PROCEDURE, PASS:: area => areaQuad PROCEDURE, NOPASS:: fPsi => fPsiQuad @@ -146,10 +146,10 @@ MODULE moduleMeshCyl PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad - END TYPE meshVolCylQuad + END TYPE meshVol2DCylQuad !Triangular volume element - TYPE, PUBLIC, EXTENDS(meshVolCyl):: meshVolCylTria + TYPE, PUBLIC, EXTENDS(meshVol2DCyl):: meshVol2DCylTria !Element coordinates REAL(8):: r(1:3) = 0.D0, z(1:3) = 0.D0 !Connectivity to nodes @@ -157,11 +157,9 @@ MODULE moduleMeshCyl !Connectivity to adjacent elements CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() REAL(8):: arNodes(1:3) = 0.D0 - !Derivatives in z,r real space - REAL(8), DIMENSION(1:3):: dPsiZ, dPsiR CONTAINS - PROCEDURE, PASS:: init => initVolTriaCyl + PROCEDURE, PASS:: init => initVolTria2DCyl PROCEDURE, PASS:: randPos => randPosVolTria PROCEDURE, PASS:: area => areaTria PROCEDURE, NOPASS:: fPsi => fPsiTria @@ -179,51 +177,51 @@ MODULE moduleMeshCyl PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria - END TYPE meshVolCylTria + END TYPE meshVol2DCylTria CONTAINS !NODE FUNCTIONS !Inits node element - SUBROUTINE initNodeCyl(self, n, r) + SUBROUTINE initNode2DCyl(self, n, r) USE moduleSpecies USE moduleRefParam IMPLICIT NONE - CLASS(meshNodeCyl), INTENT(out):: self + CLASS(meshNode2DCyl), INTENT(out):: self INTEGER, INTENT(in):: n REAL(8), INTENT(in):: r(1:3) self%n = n - self%z = r(2)/L_ref - self%r = r(1)/L_ref + self%z = r(1)/L_ref + self%r = r(2)/L_ref !Node volume, to be determined in mesh self%v = 0.D0 !Allocates output: ALLOCATE(self%output(1:nSpecies)) - END SUBROUTINE initNodeCyl + END SUBROUTINE initNode2DCyl !Get coordinates from node - PURE FUNCTION getCoordCyl(self) RESULT(r) + PURE FUNCTION getCoord2DCyl(self) RESULT(r) IMPLICIT NONE - CLASS(meshNodeCyl), INTENT(in):: self + CLASS(meshNode2DCyl), INTENT(in):: self REAL(8):: r(1:3) r = (/self%z, self%r, 0.D0/) - END FUNCTION getCoordCyl + END FUNCTION getCoord2DCyl !EDGE FUNCTIONS !Inits edge element - SUBROUTINE initEdgeCyl(self, n, p, bt, physicalSurface) + SUBROUTINE initEdge2DCyl(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary USE moduleErrors IMPLICIT NONE - CLASS(meshEdgeCyl), INTENT(out):: self + CLASS(meshEdge2DCyl), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) INTEGER, INTENT(in):: bt @@ -265,7 +263,7 @@ MODULE moduleMeshCyl self%fBoundary(s)%apply => symmetryAxis CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdgeCyl') + CALL criticalError("Boundary type not defined in this geometry", 'initEdge2DCyl') END SELECT @@ -274,14 +272,14 @@ MODULE moduleMeshCyl !Physical surface self%physicalSurface = physicalSurface - END SUBROUTINE initEdgeCyl + END SUBROUTINE initEdge2DCyl !Random position in quadrilateral volume FUNCTION randPosVolQuad(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: xii(1:3) REAL(8), ALLOCATABLE:: fPsi(:) @@ -299,23 +297,23 @@ MODULE moduleMeshCyl END FUNCTION randposVolQuad !Get nodes from edge - PURE FUNCTION getNodesCyl(self) RESULT(n) + PURE FUNCTION getNodes2DCyl(self) RESULT(n) IMPLICIT NONE - CLASS(meshEdgeCyl), INTENT(in):: self + CLASS(meshEdge2DCyl), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) ALLOCATE(n(1:2)) n = (/self%n1%n, self%n2%n /) - END FUNCTION getNodesCyl + END FUNCTION getNodes2DCyl !Calculates a random position in edge FUNCTION randPosEdge(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshEdgeCyl), INTENT(in):: self + CLASS(meshEdge2DCyl), INTENT(in):: self REAL(8):: rnd REAL(8):: r(1:3) REAL(8):: p1(1:2), p2(1:2) @@ -332,11 +330,11 @@ MODULE moduleMeshCyl !VOLUME FUNCTIONS !QUAD FUNCTIONS !Inits quadrilateral element - SUBROUTINE initVolQuadCyl(self, n, p) + SUBROUTINE initVolQuad2DCyl(self, n, p) USE moduleRefParam IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(out):: self + CLASS(meshVol2DCylQuad), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 @@ -365,14 +363,14 @@ MODULE moduleMeshCyl CALL OMP_INIT_LOCK(self%lock) - END SUBROUTINE initVolQuadCyl + END SUBROUTINE initVolQuad2DCyl !Computes element area PURE SUBROUTINE areaQuad(self) USE moduleConstParam, ONLY: PI8 IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(inout):: self + CLASS(meshVol2DCylQuad), INTENT(inout):: self REAL(8):: r, xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:4) @@ -453,7 +451,7 @@ MODULE moduleMeshCyl PURE SUBROUTINE partialDerQuad(self, dPsi, dz, dr) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: dPsi(1:,1:) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr @@ -469,7 +467,7 @@ MODULE moduleMeshCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8):: r, xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:2,1:4) REAL(8):: ke(1:4,1:4) @@ -502,7 +500,7 @@ MODULE moduleMeshCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: r, xi(1:3) @@ -558,7 +556,7 @@ MODULE moduleMeshCyl USE moduleSpecies IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self CLASS(particle), INTENT(in):: part TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) @@ -593,7 +591,7 @@ MODULE moduleMeshCyl PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) REAL(8):: dPsi(1:2,1:4) REAL(8):: dPsiR(1:2,1:4)!Derivative of shpae functions in global coordinates @@ -620,7 +618,7 @@ MODULE moduleMeshCyl PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) ALLOCATE(n(1:4)) @@ -632,7 +630,7 @@ MODULE moduleMeshCyl PURE FUNCTION phy2logQuad(self,r) RESULT(xN) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: xN(1:3) REAL(8):: xO(1:3), detJ, invJ(1:2,1:2), f(1:2) @@ -662,7 +660,7 @@ MODULE moduleMeshCyl SUBROUTINE nextElementQuad(self, xi, nextElement) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(in):: self + CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) CLASS(*), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:4) @@ -687,15 +685,14 @@ MODULE moduleMeshCyl !TRIA ELEMENT !Init tria element - SUBROUTINE initVolTriaCyl(self, n, p) + SUBROUTINE initVolTria2DCyl(self, n, p) USE moduleRefParam IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(out):: self + CLASS(meshVol2DCylTria), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) REAL(8), DIMENSION(1:3):: r1, r2, r3 - REAL(8):: A !Assign node index self%n = n @@ -716,31 +713,18 @@ MODULE moduleMeshCyl self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - !Derivatives in z/r for shape functions (node independent) - A = self%z(2)*self%r(3) - self%z(3)*self%r(2) + & - self%z(3)*self%r(1) - self%z(1)*self%r(3) + & - self%z(1)*self%r(2) - self%z(2)*self%r(1) - - self%dPsiZ = (/ self%r(2)-self%r(3), & - self%r(3)-self%r(1), & - self%r(1)-self%r(2) /)/A - - self%dPsiR = (/ self%z(3)-self%z(2), & - self%z(1)-self%z(3), & - self%z(2)-self%z(1) /)/A - self%sigmaVrelMax = sigma_ref/L_ref**2 CALL OMP_INIT_LOCK(self%lock) - END SUBROUTINE initVolTriaCyl + END SUBROUTINE initVolTria2DCyl !Random position in quadrilateral volume FUNCTION randPosVolTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: xii(1:3) REAL(8), ALLOCATABLE:: fPsi(:) @@ -762,7 +746,7 @@ MODULE moduleMeshCyl USE moduleConstParam, ONLY: PI IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(inout):: self + CLASS(meshVol2DCylTria), INTENT(inout):: self REAL(8):: r, xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:3) @@ -837,7 +821,7 @@ MODULE moduleMeshCyl PURE SUBROUTINE partialDerTria(self, dPsi, dz, dr) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: dPsi(1:,1:) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr @@ -853,7 +837,7 @@ MODULE moduleMeshCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8):: r, xi(1:3) REAL(8):: fPsi(1:3), dPsi(1:2,1:3) REAL(8):: ke(1:3,1:3) @@ -883,7 +867,7 @@ MODULE moduleMeshCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:3) @@ -938,7 +922,7 @@ MODULE moduleMeshCyl USE moduleSpecies IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self CLASS(particle), INTENT(in):: part TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:3) @@ -968,7 +952,7 @@ MODULE moduleMeshCyl PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) REAL(8):: dPsi(1:2,1:3) REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates @@ -995,7 +979,7 @@ MODULE moduleMeshCyl PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) ALLOCATE(n(1:3)) @@ -1007,7 +991,7 @@ MODULE moduleMeshCyl PURE FUNCTION phy2logTria(self,r) RESULT(xi) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: xi(1:3) REAL(8):: invJ(1:2,1:2), detJ @@ -1027,7 +1011,7 @@ MODULE moduleMeshCyl SUBROUTINE nextElementTria(self, xi, nextElement) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(in):: self + CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) CLASS(*), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:3) @@ -1049,10 +1033,10 @@ MODULE moduleMeshCyl !COMMON FUNCTIONS FOR CYLINDRICAL VOLUME ELEMENTS !Computes element Jacobian determinant - PURE FUNCTION detJCyl(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCyl(self, xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVolCyl), INTENT(in):: self + CLASS(meshVol2DCyl), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) REAL(8), ALLOCATABLE:: dPsi(:,:) @@ -1070,13 +1054,13 @@ MODULE moduleMeshCyl CALL self%partialDer(dPsi, dz, dr) dJ = dz(1)*dr(2)-dz(2)*dr(1) - END FUNCTION detJCyl + END FUNCTION detJ2DCyl !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJCyl(self,xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCyl(self,xi,dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVolCyl), INTENT(in):: self + CLASS(meshVol2DCyl), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) REAL(8), ALLOCATABLE:: dPsi(:,:) @@ -1095,6 +1079,6 @@ MODULE moduleMeshCyl invJ(1,:) = (/ dr(2), -dz(2) /) invJ(2,:) = (/ -dr(1), dz(1) /) - END FUNCTION invJCyl + END FUNCTION invJ2DCyl -END MODULE moduleMeshCyl +END MODULE moduleMesh2DCyl diff --git a/src/modules/mesh/2DCyl/moduleMeshCylBoundary.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 similarity index 94% rename from src/modules/mesh/2DCyl/moduleMeshCylBoundary.f90 rename to src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 index 5410007..7a1c581 100644 --- a/src/modules/mesh/2DCyl/moduleMeshCylBoundary.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 @@ -1,6 +1,6 @@ -!moduleMeshCylBoundary: Boundary functions for cylindrical coordinates -SUBMODULE (moduleMeshCyl) moduleMeshCylBoundary - USE moduleMeshCyl +!moduleMesh2DCylBoundary: Boundary functions for cylindrical coordinates +SUBMODULE (moduleMesh2DCyl) moduleMesh2DCylBoundary + USE moduleMesh2DCyl CONTAINS SUBROUTINE reflection(edge, part) @@ -13,7 +13,7 @@ SUBMODULE (moduleMeshCyl) moduleMeshCylBoundary !TODO: Try to do this without select SELECT TYPE(edge) - TYPE IS(meshEdgeCyl) + TYPE IS(meshEdge2DCyl) edgeNorm = DSQRT((edge%r(2)-edge%r(1))**2 + (edge%z(2)-edge%z(1))**2) cosT = (edge%z(2)-edge%z(1))/edgeNorm sinT = DSQRT(1-cosT**2) @@ -53,7 +53,7 @@ SUBMODULE (moduleMeshCyl) moduleMeshCylBoundary REAL(8):: d !Distance from particle to edge SELECT TYPE(edge) - TYPE IS(meshEdgeCyl) + TYPE IS(meshEdge2DCyl) a = (edge%z(1) - edge%z(2)) b = (edge%r(1) - edge%r(2)) c = edge%z(1)*edge%r(2) - edge%z(2)*edge%r(1) @@ -124,7 +124,7 @@ SUBMODULE (moduleMeshCyl) moduleMeshCylBoundary !Reflects particle in the edge SELECT TYPE(edge) - TYPE IS(meshEdgeCyl) + TYPE IS(meshEdge2DCyl) edgeNorm = DSQRT((edge%r(2)-edge%r(1))**2 + (edge%z(2)-edge%z(1))**2) cosT = (edge%z(2)-edge%z(1))/edgeNorm sinT = DSQRT(1-cosT**2) @@ -161,4 +161,4 @@ SUBMODULE (moduleMeshCyl) moduleMeshCylBoundary END SUBROUTINE symmetryAxis -END SUBMODULE moduleMeshCylBoundary +END SUBMODULE moduleMesh2DCylBoundary diff --git a/src/modules/mesh/2DCyl/moduleMeshCylRead.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 similarity index 88% rename from src/modules/mesh/2DCyl/moduleMeshCylRead.f90 rename to src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 index a3ee6db..085c3c3 100644 --- a/src/modules/mesh/2DCyl/moduleMeshCylRead.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 @@ -1,11 +1,11 @@ -MODULE moduleMeshCylRead +MODULE moduleMesh2DCylRead USE moduleMesh - USE moduleMeshCyl + USE moduleMesh2DCyl - TYPE, EXTENDS(meshGeneric):: meshCylGeneric + TYPE, EXTENDS(meshGeneric):: mesh2DCylGeneric CONTAINS - PROCEDURE, PASS:: init => initCylMesh - PROCEDURE, PASS:: readMesh => readMeshCylGmsh + PROCEDURE, PASS:: init => init2DCylMesh + PROCEDURE, PASS:: readMesh => readMesh2DCylGmsh END TYPE @@ -16,12 +16,12 @@ MODULE moduleMeshCylRead CONTAINS !Init mesh - SUBROUTINE initCylMesh(self, meshFormat) + SUBROUTINE init2DCylMesh(self, meshFormat) USE moduleMesh USE moduleErrors IMPLICIT NONE - CLASS(meshCylGeneric), INTENT(out):: self + CLASS(mesh2DCylGeneric), INTENT(out):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat SELECT CASE(meshFormat) @@ -31,18 +31,18 @@ MODULE moduleMeshCylRead self%printEM => printEMGmsh CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "initCylMesh") + CALL criticalError("Mesh type " // meshFormat // " not supported.", "init2DCylMesh") END SELECT - END SUBROUTINE initCylMesh + END SUBROUTINE init2DCylMesh !Read mesh from gmsh file - SUBROUTINE readMeshCylGmsh(self, filename) + SUBROUTINE readMesh2DCylGmsh(self, filename) USE moduleBoundary IMPLICIT NONE - CLASS(meshCylGeneric), INTENT(inout):: self + CLASS(mesh2DCylGeneric), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8):: r, z INTEGER:: p(1:4) @@ -68,8 +68,8 @@ MODULE moduleMeshCylRead !Read nodes cartesian coordinates (x=z, y=r, z=null) DO e=1, self%numNodes READ(10, *) n, z, r - ALLOCATE(meshNodeCyl:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/r, z, 0.D0 /)) + ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/z, r, 0.D0 /)) END DO !Skips comments @@ -103,7 +103,7 @@ MODULE moduleMeshCylRead !Associate boundary condition procedure. bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdgeCyl:: self%edges(e)%obj) + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) @@ -118,13 +118,13 @@ MODULE moduleMeshCylRead CASE (2) !Triangular element READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVolCylTria:: self%vols(e)%obj) + ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) CASE (3) !Quadrilateral element READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVolCylQuad:: self%vols(e)%obj) + ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) END SELECT @@ -154,7 +154,7 @@ MODULE moduleMeshCylRead END DO - END SUBROUTINE readMeshCylGmsh + END SUBROUTINE readMesh2DCylGmsh !Selects type of elements to build connection SUBROUTINE connectedVolVol(elemA, elemB) @@ -164,27 +164,27 @@ MODULE moduleMeshCylRead CLASS(meshVol), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVolCylQuad) + TYPE IS(meshVol2DCylQuad) !Element A is a quadrilateral SELECT TYPE(elemB) - TYPE IS(meshVolCylQuad) + TYPE IS(meshVol2DCylQuad) !Element B is a quadrilateral CALL connectedQuadQuad(elemA, elemB) - TYPE IS(meshVolCylTria) + TYPE IS(meshVol2DCylTria) !Element B is a triangle CALL connectedQuadTria(elemA, elemB) END SELECT - TYPE IS(meshVolCylTria) + TYPE IS(meshVol2DCylTria) !Element A is a Triangle SELECT TYPE(elemB) - TYPE IS(meshVolCylQuad) + TYPE IS(meshVol2DCylQuad) !Element B is a quadrilateral CALL connectedQuadTria(elemB, elemA) - TYPE IS(meshVolCylTria) + TYPE IS(meshVol2DCylTria) !Element B is a triangle CALL connectedTriaTria(elemA, elemB) @@ -201,13 +201,13 @@ MODULE moduleMeshCylRead CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemB) - CLASS IS(meshEdgeCyl) + CLASS IS(meshEdge2DCyl) SELECT TYPE(elemA) - TYPE IS(meshVolCylQuad) + TYPE IS(meshVol2DCylQuad) !Element A is a quadrilateral CALL connectedQuadEdge(elemA, elemB) - TYPE IS(meshVolCylTria) + TYPE IS(meshVol2DCylTria) !Element A is a triangle CALL connectedTriaEdge(elemA, elemB) @@ -220,8 +220,8 @@ MODULE moduleMeshCylRead SUBROUTINE connectedQuadQuad(elemA, elemB) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVolCylQuad), INTENT(inout), TARGET:: elemB + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1) .AND. & @@ -264,8 +264,8 @@ MODULE moduleMeshCylRead SUBROUTINE connectedQuadTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVolCylTria), INTENT(inout), TARGET:: elemB + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -356,8 +356,8 @@ MODULE moduleMeshCylRead SUBROUTINE connectedTriaTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(inout), TARGET:: elemA - CLASS(meshVolCylTria), INTENT(inout), TARGET:: elemB + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -429,8 +429,8 @@ MODULE moduleMeshCylRead SUBROUTINE connectedQuadEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVolCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshEdgeCyl), INTENT(inout), TARGET:: elemB + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -501,8 +501,8 @@ MODULE moduleMeshCylRead SUBROUTINE connectedTriaEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVolCylTria), INTENT(inout), TARGET:: elemA - CLASS(meshEdgeCyl), INTENT(inout), TARGET:: elemB + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -564,7 +564,7 @@ MODULE moduleMeshCylRead INTEGER, ALLOCATABLE:: n(:) SELECT TYPE(elem) - TYPE IS(meshVolCylQuad) + TYPE IS(meshVol2DCylQuad) nNodes = 4 ALLOCATE(localK(1:nNodes,1:nNodes)) localK = elem%elemK() @@ -572,7 +572,7 @@ MODULE moduleMeshCylRead n = (/ elem%n1%n, elem%n2%n, & elem%n3%n, elem%n4%n /) - TYPE IS(meshVolCylTria) + TYPE IS(meshVol2DCylTria) nNodes = 3 ALLOCATE(localK(1:nNodes,1:nNodes)) localK = elem%elemK() @@ -596,4 +596,4 @@ MODULE moduleMeshCylRead END SUBROUTINE constructGlobalK -END MODULE moduleMeshCylRead +END MODULE moduleMesh2DCylRead diff --git a/src/modules/mesh/makefile b/src/modules/mesh/makefile index 741a43e..0eeaa23 100644 --- a/src/modules/mesh/makefile +++ b/src/modules/mesh/makefile @@ -1,8 +1,11 @@ -all: moduleMesh.o 2DCyl.o 1DRad.o 1DCart.o +all: moduleMesh.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o 2DCyl.o: $(MAKE) -C 2DCyl all +2DCart.o: + $(MAKE) -C 2DCart all + 1DCart.o: $(MAKE) -C 1DCart all diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 2a6e334..a96bbc5 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -365,7 +365,6 @@ MODULE moduleInput !Gets the basename of the folder CALL config%get(object // '.folder', baseName, found) - PRINT *, baseName IF (found) THEN folder = baseName @@ -654,7 +653,8 @@ MODULE moduleInput !Read the geometry (mesh) for the case SUBROUTINE readGeometry(config) USE moduleMesh - USE moduleMeshCylRead, ONLY: meshCylGeneric + USE moduleMesh2DCylRead, ONLY: mesh2DCylGeneric + USE moduleMesh2DCartRead, ONLY: mesh2DCartGeneric USE moduleMesh1DCartRead, ONLY: mesh1DCartGeneric USE moduleMesh1DRadRead, ONLY: mesh1DRadGeneric USE moduleErrors @@ -672,7 +672,11 @@ MODULE moduleInput SELECT CASE(geometryType) CASE ("2DCyl") !Creates a 2D cylindrical mesh - ALLOCATE(meshCylGeneric:: mesh) + ALLOCATE(mesh2DCylGeneric:: mesh) + + CASE ("2DCart") + !Creates a 2D cylindrical mesh + ALLOCATE(mesh2DCartGeneric:: mesh) CASE ("1DCart") !Creates a 1D cartesian mesh diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index dfd5d4a..4b0124e 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -67,15 +67,31 @@ MODULE moduleSolver REAL(8):: tau, tauSp SELECT CASE(pusherType) + !2D Cylindrical CASE('2DCylNeutral') - self%pushParticle => pushCylNeutral + self%pushParticle => push2DCylNeutral CASE('2DCylCharged') - self%pushParticle => pushCylCharged + self%pushParticle => push2DCylCharged + + !2D Cartesian + CASE('2DCartNeutral') + self%pushParticle => push2DCartNeutral + + CASE('2DCartCharged') + self%pushParticle => push2DCartCharged + + !1D Cartesian + CASE('1DCartNeutral') + self%pushParticle => push1DCartNeutral CASE('1DCartCharged') self%pushParticle => push1DCartCharged + !1D Radial + CASE('1DRadNeutral') + self%pushParticle => push1DRadNeutral + CASE('1DRadCharged') self%pushParticle => push1DRadCharged @@ -147,7 +163,7 @@ MODULE moduleSolver END SUBROUTINE doPushes !Push one particle. Boris pusher for 2D Cyl Neutral particle - PURE SUBROUTINE pushCylNeutral(part, tauIn) + PURE SUBROUTINE push2DCylNeutral(part, tauIn) USE moduleSpecies IMPLICIT NONE @@ -181,10 +197,10 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE pushCylNeutral + END SUBROUTINE push2DCylNeutral !Push one particle. Boris pusher for 2D Cyl Charged particle - PURE SUBROUTINE pushCylCharged(part, tauIn) + PURE SUBROUTINE push2DCylCharged(part, tauIn) USE moduleSpecies USE moduleEM IMPLICIT NONE @@ -222,7 +238,83 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE pushCylCharged + END SUBROUTINE push2DCylCharged + + !Push neutral particles in 2D cartesian coordinates + PURE SUBROUTINE push2DCartNeutral(part, tauIn) + USE moduleSPecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + + part_temp = part + + !x + part_temp%v(1) = part%v(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + + !y + part_temp%v(2) = part%v(2) + part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + + part_temp%n_in = .FALSE. + + part = part_temp + + END SUBROUTINE push2DCartNeutral + + !Push charged particles in 2D cartesian coordinates + PURE SUBROUTINE push2DCartCharged(part, tauIn) + USE moduleSPecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + REAL(8):: qmEFt(1:3) + + part_temp = part + !Get the electric field at particle position + qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + + !x + part_temp%v(1) = part%v(1) + qmEFt(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + + !y + part_temp%v(2) = part%v(2) + qmEFt(2) + part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + + part_temp%n_in = .FALSE. + + part = part_temp + + END SUBROUTINE push2DCartCharged + + !Push neutral particles in 1D cartesian coordinates + PURE SUBROUTINE push1DCartNeutral(part, tauIn) + USE moduleSPecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + + part_temp = part + + !x + part_temp%v(1) = part%v(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + + part_temp%n_in = .FALSE. + + part = part_temp + + END SUBROUTINE push1DCartNeutral !Push charged particles in 1D cartesian coordinates PURE SUBROUTINE push1DCartCharged(part, tauIn) @@ -249,6 +341,41 @@ MODULE moduleSolver END SUBROUTINE push1DCartCharged + !Push one particle. Boris pusher for 1D Radial Neutral particle + PURE SUBROUTINE push1DRadNeutral(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: v_p_oh_star(1:2) + TYPE(particle):: part_temp + REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha + + part_temp = part + !r,theta + v_p_oh_star(1) = part%v(1) + x_new = part%r(1) + v_p_oh_star(1)*tauIn + v_p_oh_star(2) = part%v(2) + y_new = v_p_oh_star(2)*tauIn + r = DSQRT(x_new**2+y_new**2) + part_temp%r(1) = r + IF (r > 0.D0) THEN + sin_alpha = y_new/r + cos_alpha = x_new/r + ELSE + sin_alpha = 0.D0 + cos_alpha = 1.D0 + END IF + part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) + part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) + part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle + part=part_temp + + END SUBROUTINE push1DRadNeutral + !Push one particle. Boris pusher for 1D Radial Charged particle PURE SUBROUTINE push1DRadCharged(part, tauIn) USE moduleSpecies @@ -263,7 +390,6 @@ MODULE moduleSolver REAL(8):: qmEFt(1:3)!charge*tauIn*EF/mass part_temp = part - !Time step for the species !Get electric field at particle position qmEFt = part_temp%qm*gatherElecField(part_temp)*tauMin !r,theta From 2eae95002dd74cff573cf27e2f49b8b07ac908cb Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 23 Jan 2021 10:58:39 +0100 Subject: [PATCH 004/203] Small modifications to 1D input files to make them start from a small x/r position to avoid huge fields in Radial case when r -> 0 due to charge accumulation. Added a Gnuplot script to plot both potential profiles extracted from Gmsh. --- runs/1D_Cathode/curve_potential.gp | 22 + runs/1D_Cathode/inputCart.json | 4 +- runs/1D_Cathode/inputRad.json | 4 +- runs/1D_Cathode/mesh.msh | 39808 ++++++++++++++++++++------- src/modules/moduleInput.f90 | 6 +- 5 files changed, 29833 insertions(+), 10011 deletions(-) create mode 100644 runs/1D_Cathode/curve_potential.gp diff --git a/runs/1D_Cathode/curve_potential.gp b/runs/1D_Cathode/curve_potential.gp new file mode 100644 index 0000000..9db840c --- /dev/null +++ b/runs/1D_Cathode/curve_potential.gp @@ -0,0 +1,22 @@ +#Export the potential curves from Gmsh into a txt file. +reset +set terminal qt persist enhanced 1 size 600, 400 + +set style line 1 pt 1 lc rgb "red" +set style line 2 pt 2 lc rgb "blue" +set style line 3 pt 4 lc rgb "#006400" +set style line 4 pt 6 lc rgb "orange" +set style line 5 pt 8 lc rgb "black" +set style line 6 pt 10 lc rgb "#ADD8E6" + +set xlabel "x/r (mm)" + +set autoscale y +set ylabel "Potential (V)" + +set key box at 90,-10 + +set title "Effect of geometry" + +plot "Cartesian.dat" u ($5*1e3):($8) every 100 ls 1 t "Cartesian", \ + "Radial.dat" u ($5*1e3):($8) every 100 ls 2 t "Radial" diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 5d04eb2..a3ad40f 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -34,12 +34,12 @@ {"name": "Infinite", "type": "dirichlet", "potential": 0.0, "physicalSurface": 2} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-3, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "case": { "tau": [1.0e-11], - "time": 1.0e-6, + "time": 1.0e-7, "pusher": ["1DCartCharged"], "EMSolver": "Electrostatic" }, diff --git a/runs/1D_Cathode/inputRad.json b/runs/1D_Cathode/inputRad.json index 32518e5..d64c58c 100644 --- a/runs/1D_Cathode/inputRad.json +++ b/runs/1D_Cathode/inputRad.json @@ -34,12 +34,12 @@ {"name": "Infinite", "type": "dirichlet", "potential": 0.0, "physicalSurface": 2} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-3, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "case": { "tau": [1.0e-11], - "time": 1.0e-6, + "time": 1.0e-7, "pusher": ["1DRadCharged"], "EMSolver": "Electrostatic" }, diff --git a/runs/1D_Cathode/mesh.msh b/runs/1D_Cathode/mesh.msh index 378db88..9b99262 100644 --- a/runs/1D_Cathode/mesh.msh +++ b/runs/1D_Cathode/mesh.msh @@ -2,10011 +2,19911 @@ $MeshFormat 2.2 0 8 $EndMeshFormat $Nodes -10001 -1 0 0 0 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THEN - folder = baseName + folder = baseName // '_' END IF !Compose the folder name - folder = folder // '_' // date_now(1:4) // '-' // date_now(5:6) // '-' // date_now(7:8) // '_' & - // time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) + folder = folder // date_now(1:4) // '-' // date_now(5:6) // '-' // date_now(7:8) // '_' & + // time_now(1:2) // '.' // time_now(3:4) // '.' // time_now(5:6) !Creates the folder CALL EXECUTE_COMMAND_LINE('mkdir ' // path // folder ) From 20bc1abc2910d67deef10fda0c3a7abdf82cf7a3 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 27 Jan 2021 09:59:37 +0100 Subject: [PATCH 005/203] Fixed an issue in which the logical coordinates of the particle (xi) were not being initialized and was causing particles to get stuck in the iteration loop. --- runs/ALPHIE_Grid/inputDiffTau.json | 7 +-- runs/ALPHIE_Grid/inputSameTau.json | 9 ++-- runs/Argon_Expansion/CX_case.json | 2 +- .../{base_case.json => elastic_case.json} | 2 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 7 ++- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 45 ++++++++++--------- src/modules/mesh/moduleMesh.f90 | 5 ++- src/modules/moduleInject.f90 | 2 + 8 files changed, 42 insertions(+), 37 deletions(-) rename runs/Argon_Expansion/{base_case.json => elastic_case.json} (96%) diff --git a/runs/ALPHIE_Grid/inputDiffTau.json b/runs/ALPHIE_Grid/inputDiffTau.json index 1ce7035..372b99a 100644 --- a/runs/ALPHIE_Grid/inputDiffTau.json +++ b/runs/ALPHIE_Grid/inputDiffTau.json @@ -58,17 +58,18 @@ "reference": { "density": 1.0e16, "mass": 9.109e-31, - "temperature": 2500.0 + "temperature": 2500.0, + "radius": 1.88e-10 }, "case": { "tau": [1.0e-9, 1.0e-11], - "time": 2.0e-6, + "time": 1.0e-6, "pusher": ["2DCylCharged", "2DCylCharged"], "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ - "nThreads": 8 + "nThreads": 24 } } } diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json index 74e920a..f62dbf6 100644 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ b/runs/ALPHIE_Grid/inputSameTau.json @@ -14,8 +14,8 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e2}, + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} ], "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ @@ -58,7 +58,8 @@ "reference": { "density": 1.0e16, "mass": 9.109e-31, - "temperature": 2500.0 + "temperature": 2500.0, + "radius": 1.88e-10 }, "case": { "tau": [1.0e-11, 1.0e-11], @@ -68,7 +69,7 @@ }, "parallel": { "OpenMP":{ - "nThreads": 8 + "nThreads": 4 } } } diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index d2d89db..21adc6a 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -3,7 +3,7 @@ "path": "./runs/Argon_Expansion/", "triggerOutput": 10, "cpuTime": false, - "numColl": true, + "numColl": false, "folder": "CX_case" }, "geometry": { diff --git a/runs/Argon_Expansion/base_case.json b/runs/Argon_Expansion/elastic_case.json similarity index 96% rename from runs/Argon_Expansion/base_case.json rename to runs/Argon_Expansion/elastic_case.json index 8cc7238..0a10d86 100644 --- a/runs/Argon_Expansion/base_case.json +++ b/runs/Argon_Expansion/elastic_case.json @@ -4,7 +4,7 @@ "triggerOutput": 10, "cpuTime": false, "numColl": false, - "folder": "base_case" + "folder": "Elastic_case" }, "geometry": { "type": "2DCyl", diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 8718804..ca32dc0 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -1,7 +1,7 @@ !moduleMesh2DCart: 2D Cartesian coordinate system -! x == x -! y == y -! z == unused +! x == x +! y == y +! z == unused MODULE moduleMesh2DCart USE moduleMesh IMPLICIT NONE @@ -117,7 +117,6 @@ MODULE moduleMesh2DCart !Connectivity to adjacent elements CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() REAL(8):: arNodes(1:4) = 0.D0 - CONTAINS PROCEDURE, PASS:: init => initVolQuad2DCart PROCEDURE, PASS:: randPos => randPosVolQuad diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index da1b620..1376160 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -274,28 +274,6 @@ MODULE moduleMesh2DCyl END SUBROUTINE initEdge2DCyl - !Random position in quadrilateral volume - FUNCTION randPosVolQuad(self) RESULT(r) - USE moduleRandom - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8):: r(1:3) - REAL(8):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - xii(1) = random(-1.D0, 1.D0) - xii(2) = random(-1.D0, 1.D0) - xii(3) = 0.D0 - - fPsi = self%fPsi(xii) - - r(1) = DOT_PRODUCT(fPsi, self%z) - r(2) = DOT_PRODUCT(fPsi, self%r) - r(3) = 0.D0 - - END FUNCTION randposVolQuad - !Get nodes from edge PURE FUNCTION getNodes2DCyl(self) RESULT(n) IMPLICIT NONE @@ -448,6 +426,7 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiQuadXi2 + !Partial derivative in global coordinates PURE SUBROUTINE partialDerQuad(self, dPsi, dz, dr) IMPLICIT NONE @@ -462,6 +441,28 @@ MODULE moduleMesh2DCyl END SUBROUTINE partialDerQuad + !Random position in quadrilateral volume + FUNCTION randPosVolQuad(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + xii(1) = random(-1.D0, 1.D0) + xii(2) = random(-1.D0, 1.D0) + xii(3) = 0.D0 + + fPsi = self%fPsi(xii) + + r(1) = DOT_PRODUCT(fPsi, self%z) + r(2) = DOT_PRODUCT(fPsi, self%r) + r(3) = 0.D0 + + END FUNCTION randposVolQuad + !Computes element local stiffness matrix PURE FUNCTION elemKQuad(self) RESULT(ke) USE moduleConstParam, ONLY: PI2 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 3c9e7ed..5158135 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -359,8 +359,9 @@ MODULE moduleMesh CALL nextElement%findCell(part, self) CLASS IS (meshEdge) - !Particle encountered an edge, apply boundary + !Particle encountered a surface, apply boundary CALL nextElement%fBoundary(part%sp)%apply(nextElement,part) + !If particle is still inside the domain, call findCell IF (part%n_in) THEN IF(PRESENT(oldCell)) THEN @@ -474,7 +475,7 @@ MODULE moduleMesh WRITE(60, "(A)") '$EndMeshFormat' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Density' // species(i)%obj%name // ' (m^-3)"' + WRITE(60, "(A)") '"Density ' // species(i)%obj%name // ' (m^-3)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index bde3aaf..9a02cb1 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -242,6 +242,8 @@ MODULE moduleInject self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) + !Obtain natural coordinates of particle in cell + partInj(n)%xi = mesh%vols(partInj(n)%vol)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step CALL solver%pusher(self%sp)%pushParticle(partInj(n), tauMin) !Assign cell to new particle From 9d146b9bcc1c373d77dbcb0f43e5ee3ff43adfa6 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 27 Jan 2021 10:01:19 +0100 Subject: [PATCH 006/203] Number of threads set to 24. --- runs/ALPHIE_Grid/inputSameTau.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json index f62dbf6..1745451 100644 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ b/runs/ALPHIE_Grid/inputSameTau.json @@ -69,7 +69,7 @@ }, "parallel": { "OpenMP":{ - "nThreads": 4 + "nThreads": 24 } } } From ac2965621aad9e4568d7c0c6316b79b7ec8f23a8 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 27 Feb 2021 16:24:44 +0100 Subject: [PATCH 007/203] Structure for 3D Cartesian Grid created. Unification of boundary conditions into one file. Some changes to input file for reference cases. This should have been done in another branch but I wanto to commit to save progress and I don't want to deal with tswitching branches right now, I'm very busy watching Futurama. --- .gitignore | 1 + makefile | 1 + runs/1D_Cathode/inputRad.json | 19 +- runs/1D_Cathode/mesh.geo | 16 + runs/1D_Cathode/mesh.msh | 39806 +--------------- runs/ALPHIE_Grid/inputDiffTau.json | 3 +- runs/ALPHIE_Grid/inputSameTau.json | 9 +- runs/ALPHIE_Grid/mesh.geo | 51 +- src/makefile | 10 +- src/modules/mesh/1DCart/makefile | 7 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 59 +- .../mesh/1DCart/moduleMesh1DCartBoundary.f90 | 91 - src/modules/mesh/1DRad/makefile | 7 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 59 +- .../mesh/1DRad/moduleMesh1DRadBoundary.f90 | 93 - src/modules/mesh/2DCart/makefile | 7 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 62 +- .../mesh/2DCart/moduleMesh2DCartBoundary.f90 | 154 - .../mesh/2DCart/moduleMesh2DCartRead.f90 | 2 +- src/modules/mesh/2DCyl/makefile | 7 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 70 +- .../mesh/2DCyl/moduleMesh2DCylBoundary.f90 | 164 - src/modules/mesh/3DCart/makefile | 8 + src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 672 + .../mesh/3DCart/moduleMesh3DCartRead.f90 | 470 + src/modules/mesh/makefile | 7 +- src/modules/mesh/moduleMesh.f90 | 24 +- src/modules/mesh/moduleMeshBoundary.f90 | 121 + src/modules/moduleCollisions.f90 | 4 +- 29 files changed, 1549 insertions(+), 40455 deletions(-) create mode 100644 runs/1D_Cathode/mesh.geo delete mode 100644 src/modules/mesh/1DCart/moduleMesh1DCartBoundary.f90 delete mode 100644 src/modules/mesh/1DRad/moduleMesh1DRadBoundary.f90 delete mode 100644 src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 delete mode 100644 src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 create mode 100644 src/modules/mesh/3DCart/makefile create mode 100644 src/modules/mesh/3DCart/moduleMesh3DCart.f90 create mode 100644 src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 create mode 100644 src/modules/mesh/moduleMeshBoundary.f90 diff --git a/.gitignore b/.gitignore index 124d47b..f614574 100644 --- a/.gitignore +++ b/.gitignore @@ -4,3 +4,4 @@ obj/ doc/user_manual/ doc/coding_style/ json-fortran-8.2.0/ +runs/ diff --git a/makefile b/makefile index c220ac8..6516128 100644 --- a/makefile +++ b/makefile @@ -39,5 +39,6 @@ src.o: clean: rm -f $(OUTPUT) rm -f $(MODDIR)/*.mod + rm -f $(MODDIR)/*.smod rm -f $(OBJDIR)/*.o diff --git a/runs/1D_Cathode/inputRad.json b/runs/1D_Cathode/inputRad.json index d64c58c..3e87739 100644 --- a/runs/1D_Cathode/inputRad.json +++ b/runs/1D_Cathode/inputRad.json @@ -19,13 +19,16 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ + {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ + {"type": "transparent"}, {"type": "transparent"} ]} ], @@ -35,17 +38,21 @@ ], "inject": [ {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-3, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, + {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.0e-6, "units": "A", "v": 500.0, "T": [500.0, 500.0, 500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, + {"name": "Plasma Inf e", "species": "Electron", "flow": 1.0e-6, "units": "A", "v": 500.0, "T": [500.0, 500.0, 500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} ], "case": { - "tau": [1.0e-11], - "time": 1.0e-7, - "pusher": ["1DRadCharged"], + "tau": [1.0e-11, 1.0e-11], + "time": 1.0e-5, + "pusher": ["1DRadCharged", "1DRadCharged"], "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ - "nThreads": 1 + "nThreads": 24 } } } diff --git a/runs/1D_Cathode/mesh.geo b/runs/1D_Cathode/mesh.geo new file mode 100644 index 0000000..9b7882f --- /dev/null +++ b/runs/1D_Cathode/mesh.geo @@ -0,0 +1,16 @@ +Lcell = 0.00005; + +x0 = 0.001; +xf = x0 + 100.0*Lcell; + +Point(1) = {x0, 0, 0, 1}; +Point(2) = {xf, 0, 0, 1}; + +Line(1) = {1, 2}; + +Physical Point(1) = {1}; +Physical Point(2) = {2}; + +Physical Line(1) = {1}; + +Transfinite Line {1} = (xf-x0)/Lcell + 1 Using Progression 1; diff --git a/runs/1D_Cathode/mesh.msh b/runs/1D_Cathode/mesh.msh index 9b99262..01896a4 100644 --- a/runs/1D_Cathode/mesh.msh +++ b/runs/1D_Cathode/mesh.msh @@ -2,19911 +2,111 @@ $MeshFormat 2.2 0 8 $EndMeshFormat $Nodes -19901 +101 1 0.001 0 0 -2 0.2 0 0 -3 0.001009999999999981 0 0 -4 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{"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, - {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5} + {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json index 1745451..b91aed5 100644 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ b/runs/ALPHIE_Grid/inputSameTau.json @@ -14,8 +14,8 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e2}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ @@ -45,7 +45,8 @@ ], "boundaryEM": [ {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, - {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5} + {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], @@ -63,7 +64,7 @@ }, "case": { "tau": [1.0e-11, 1.0e-11], - "time": 2.0e-6, + "time": 1.0e-6, "pusher": ["2DCylCharged", "2DCylCharged"], "EMSolver": "Electrostatic" }, diff --git a/runs/ALPHIE_Grid/mesh.geo b/runs/ALPHIE_Grid/mesh.geo index 87caea7..f76e393 100644 --- a/runs/ALPHIE_Grid/mesh.geo +++ b/runs/ALPHIE_Grid/mesh.geo @@ -1,12 +1,13 @@ -Lz = 0.0100; -Lr = 0.0006; -zg1 = 0.0025; -tg1 = 0.0004; -rg1 = 0.0005; -dg = 0.0025; -zg2 = zg1+tg1+dg; -tg2 = tg1; -rg2 = rg1; +zg1 = 0.0025; +tg1 = 0.0004; +rg1 = 0.0005; +dg = 0.0025; +zg2 = zg1+tg1+dg; +tg2 = tg1; +rg2 = rg1; +zEnd = 0.0042; +Lz = zg2 + tg2 + zEnd; +Lr = rg1 + 0.0001; Lcell = 0.0001; @@ -96,19 +97,19 @@ Transfinite Line {18, 19, 20, 21, 22, 6} = rg1/Lcell + 1 Using Progression 1; Transfinite Line {17, 15, 13, 11, 9, 7} = (Lr-rg1)/Lcell + 1 Using Progression 1; -#Transfinite Surface{1}; -#Recombine Surface {1}; -#Transfinite Surface{2}; -#Recombine Surface {2}; -#Transfinite Surface{3}; -#Recombine Surface {3}; -#Transfinite Surface{4}; -#Recombine Surface {4}; -#Transfinite Surface{5}; -#Recombine Surface {5}; -#Transfinite Surface{6}; -#Recombine Surface {6}; -#Transfinite Surface{7}; -#Recombine Surface {7}; -#Transfinite Surface{8}; -#Recombine Surface {8}; +Transfinite Surface{1}; +Recombine Surface {1}; +Transfinite Surface{2}; +Recombine Surface {2}; +Transfinite Surface{3}; +Recombine Surface {3}; +Transfinite Surface{4}; +Recombine Surface {4}; +Transfinite Surface{5}; +Recombine Surface {5}; +Transfinite Surface{6}; +Recombine Surface {6}; +Transfinite Surface{7}; +Recombine Surface {7}; +Transfinite Surface{8}; +Recombine Surface {8}; diff --git a/src/makefile b/src/makefile index 004955c..e3801fd 100644 --- a/src/makefile +++ b/src/makefile @@ -1,13 +1,13 @@ -OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleCompTime.o $(OBJDIR)/moduleSolver.o \ +OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/moduleCompTime.o $(OBJDIR)/moduleSolver.o \ $(OBJDIR)/moduleSpecies.o $(OBJDIR)/moduleInject.o $(OBJDIR)/moduleInput.o \ $(OBJDIR)/moduleErrors.o $(OBJDIR)/moduleList.o $(OBJDIR)/moduleOutput.o \ $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o \ - $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o $(OBJDIR)/moduleMesh2DCylBoundary.o \ - $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o $(OBJDIR)/moduleMesh2DCartBoundary.o \ - $(OBJDIR)/moduleMesh1DCart.o $(OBJDIR)/moduleMesh1DCartRead.o $(OBJDIR)/moduleMesh1DCartBoundary.o \ - $(OBJDIR)/moduleMesh1DRad.o $(OBJDIR)/moduleMesh1DRadRead.o $(OBJDIR)/moduleMesh1DRadBoundary.o + $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o \ + $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o \ + $(OBJDIR)/moduleMesh1DCart.o $(OBJDIR)/moduleMesh1DCartRead.o \ + $(OBJDIR)/moduleMesh1DRad.o $(OBJDIR)/moduleMesh1DRadRead.o all: $(OUTPUT) diff --git a/src/modules/mesh/1DCart/makefile b/src/modules/mesh/1DCart/makefile index c83d0fa..e078727 100644 --- a/src/modules/mesh/1DCart/makefile +++ b/src/modules/mesh/1DCart/makefile @@ -1,11 +1,8 @@ -all: moduleMesh1DCart.o moduleMesh1DCartBoundary.o moduleMesh1DCartRead.o +all: moduleMesh1DCart.o moduleMesh1DCartRead.o moduleMesh1DCart.o: moduleMesh1DCart.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh1DCartBoundary.o: moduleMesh1DCart.o moduleMesh1DCartBoundary.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleMesh1DCartRead.o: moduleMesh1DCart.o moduleMesh1DCartBoundary.o moduleMesh1DCartRead.f90 +moduleMesh1DCartRead.o: moduleMesh1DCart.o moduleMesh1DCartRead.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 3bd7d05..647d974 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -4,6 +4,7 @@ ! z == unused MODULE moduleMesh1DCart USE moduleMesh + USE moduleMeshBoundary IMPLICIT NONE TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DCart @@ -21,52 +22,13 @@ MODULE moduleMesh1DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL() CONTAINS - PROCEDURE, PASS:: init => initEdge1DCart - PROCEDURE, PASS:: getNodes => getNodes1DCart - PROCEDURE, PASS:: randPos => randPosEdge + PROCEDURE, PASS:: init => initEdge1DCart + PROCEDURE, PASS:: getNodes => getNodes1DCart + PROCEDURE, PASS:: intersection => intersection1DCart + PROCEDURE, PASS:: randPos => randPosEdge END TYPE meshEdge1DCart - !Boundary functions defined in the submodule Boundary - INTERFACE - MODULE SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE reflection - - MODULE SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE absorption - - MODULE SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE transparent - - MODULE SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE wallTemperature - - END INTERFACE - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol1DCart CONTAINS PROCEDURE, PASS:: detJac => detJ1DCart @@ -226,6 +188,17 @@ MODULE moduleMesh1DCart END FUNCTION getNodes1DCart + PURE FUNCTION intersection1DCart(self, r0, v0) RESULT(r) + IMPLICIT NONE + + CLASS(meshEdge1DCart), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3):: r + + r = (/ self%x, 0.D0, 0.D0 /) + + END FUNCTION intersection1DCart + !Calculates a 'random' position in edge FUNCTION randPosEdge(self) RESULT(r) CLASS(meshEdge1DCart), INTENT(in):: self diff --git a/src/modules/mesh/1DCart/moduleMesh1DCartBoundary.f90 b/src/modules/mesh/1DCart/moduleMesh1DCartBoundary.f90 deleted file mode 100644 index ce2f229..0000000 --- a/src/modules/mesh/1DCart/moduleMesh1DCartBoundary.f90 +++ /dev/null @@ -1,91 +0,0 @@ -SUBMODULE (moduleMesh1DCart) moduleMesh1DCartBoundary - USE moduleMesh1DCart - - CONTAINS - SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - SELECT TYPE(edge) - TYPE IS(meshEdge1DCart) - part%v(1) = -part%v(1) - part%r(1) = 2.D0*edge%x - part%r(1) - - END SELECT - - END SUBROUTINE reflection - - SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: rEdge(1) !Position of particle in the edge - REAL(8):: d !Distance from particle to edge - - SELECT TYPE(edge) - TYPE IS(meshEdge1DCart) - rEdge(1) = edge%x - d = DABS(part%r(1) - rEdge(1)) - - IF (d > 0.D0) THEN - part%weight = part%weight / d - part%r(1) = rEdge(1) - - END IF - - IF (ASSOCIATED(edge%e1)) THEN - CALL edge%e1%scatter(part) - - ELSE - CALL edge%e2%scatter(part) - - END IF - - END SELECT - - part%n_in = .FALSE. - - END SUBROUTINE absorption - - SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - part%n_in = .FALSE. - - END SUBROUTINE transparent - - SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - USE moduleBoundary - USE moduleRandom - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - !Modifies particle velocity according to wall temperature - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) - TYPE IS(boundaryWallTemperature) - part%v(1) = part%v(1) + bound%vTh*randomMaxwellian() - - END SELECT - - SELECT TYPE(edge) - TYPE IS(meshEdge1DCart) - part%v(1) = -part%v(1) - part%r(1) = 2.D0*edge%x - part%r(1) - - END SELECT - - END SUBROUTINE wallTemperature - -END SUBMODULE moduleMesh1DCartBoundary diff --git a/src/modules/mesh/1DRad/makefile b/src/modules/mesh/1DRad/makefile index 8af9327..13e34ab 100644 --- a/src/modules/mesh/1DRad/makefile +++ b/src/modules/mesh/1DRad/makefile @@ -1,11 +1,8 @@ -all: moduleMesh1DRad.o moduleMesh1DRadBoundary.o moduleMesh1DRadRead.o +all: moduleMesh1DRad.o moduleMesh1DRadRead.o moduleMesh1DRad.o: moduleMesh1DRad.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh1DRadBoundary.o: moduleMesh1DRad.o moduleMesh1DRadBoundary.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleMesh1DRadRead.o: moduleMesh1DRad.o moduleMesh1DRadBoundary.o moduleMesh1DRadRead.f90 +moduleMesh1DRadRead.o: moduleMesh1DRad.o moduleMesh1DRadRead.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index c05bba6..3f67f15 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -4,6 +4,7 @@ ! z == unused MODULE moduleMesh1DRad USE moduleMesh + USE moduleMeshBoundary IMPLICIT NONE TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DRad @@ -21,52 +22,13 @@ MODULE moduleMesh1DRad !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL() CONTAINS - PROCEDURE, PASS:: init => initEdge1DRad - PROCEDURE, PASS:: getNodes => getNodes1DRad - PROCEDURE, PASS:: randPos => randPos1DRad + PROCEDURE, PASS:: init => initEdge1DRad + PROCEDURE, PASS:: getNodes => getNodes1DRad + PROCEDURE, PASS:: intersection => intersection1DRad + PROCEDURE, PASS:: randPos => randPos1DRad END TYPE meshEdge1DRad - !Boundary functions defined in the submodule Boundary - INTERFACE - MODULE SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE reflection - - MODULE SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE absorption - - MODULE SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE transparent - - MODULE SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE wallTemperature - - END INTERFACE - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol1DRad CONTAINS PROCEDURE, PASS:: detJac => detJ1DRad @@ -227,6 +189,17 @@ MODULE moduleMesh1DRad END FUNCTION getNodes1DRad + PURE FUNCTION intersection1DRad(self, r0, v0) RESULT(r) + IMPLICIT NONE + + CLASS(meshEdge1DRad), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3):: r + + r = (/ self%r, 0.D0, 0.D0 /) + + END FUNCTION intersection1DRad + !Calculates a 'random' position in edge FUNCTION randPos1DRad(self) RESULT(r) CLASS(meshEdge1DRad), INTENT(in):: self diff --git a/src/modules/mesh/1DRad/moduleMesh1DRadBoundary.f90 b/src/modules/mesh/1DRad/moduleMesh1DRadBoundary.f90 deleted file mode 100644 index 75cf27d..0000000 --- a/src/modules/mesh/1DRad/moduleMesh1DRadBoundary.f90 +++ /dev/null @@ -1,93 +0,0 @@ -SUBMODULE (moduleMesh1DRad) moduleMesh1DRadBoundary - USE moduleMesh1DRad - - CONTAINS - SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - SELECT TYPE(edge) - TYPE IS(meshEdge1DRad) - part%v(1) = -part%v(1) - part%r(1) = 2.D0*edge%r - part%r(1) - - END SELECT - - part%n_in = .TRUE. - - END SUBROUTINE reflection - - SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: rEdge(1) !Position of particle in the edge - REAL(8):: d !Distance from particle to edge - - SELECT TYPE(edge) - TYPE IS(meshEdge1DRad) - rEdge(1) = edge%r - d = DABS(part%r(1) - rEdge(1)) - - IF (d > 0.D0) THEN - part%weight = part%weight / d - part%r(1) = rEdge(1) - - END IF - - IF (ASSOCIATED(edge%e1)) THEN - CALL edge%e1%scatter(part) - - ELSE - CALL edge%e2%scatter(part) - - END IF - - END SELECT - - part%n_in = .FALSE. - - END SUBROUTINE absorption - - SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - part%n_in = .FALSE. - - END SUBROUTINE transparent - - SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - USE moduleBoundary - USE moduleRandom - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - !Modifies particle velocity according to wall temperature - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) - TYPE IS(boundaryWallTemperature) - part%v(1) = part%v(1) + bound%vTh*randomMaxwellian() - - END SELECT - - SELECT TYPE(edge) - TYPE IS(meshEdge1DRad) - part%v(1) = -part%v(1) - part%r(1) = 2.D0*edge%r - part%r(1) - - END SELECT - - END SUBROUTINE wallTemperature - -END SUBMODULE moduleMesh1DRadBoundary diff --git a/src/modules/mesh/2DCart/makefile b/src/modules/mesh/2DCart/makefile index 312916b..65211cb 100644 --- a/src/modules/mesh/2DCart/makefile +++ b/src/modules/mesh/2DCart/makefile @@ -1,11 +1,8 @@ -all : moduleMesh2DCart.o moduleMesh2DCartBoundary.o moduleMesh2DCartRead.o +all : moduleMesh2DCart.o moduleMesh2DCartRead.o moduleMesh2DCart.o: moduleMesh2DCart.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh2DCartBoundary.o: moduleMesh2DCart.o moduleMesh2DCartBoundary.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleMesh2DCartRead.o: moduleMesh2DCart.o moduleMesh2DCartBoundary.o moduleMesh2DCartRead.f90 +moduleMesh2DCartRead.o: moduleMesh2DCart.o moduleMesh2DCartRead.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index ca32dc0..cc2369a 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -4,6 +4,7 @@ ! z == unused MODULE moduleMesh2DCart USE moduleMesh + USE moduleMeshBoundary IMPLICIT NONE !Values for Gauss integral @@ -31,50 +32,11 @@ MODULE moduleMesh2DCart CONTAINS PROCEDURE, PASS:: init => initEdge2DCart PROCEDURE, PASS:: getNodes => getNodes2DCart + PROCEDURE, PASS:: intersection => intersection2DCartEdge PROCEDURE, PASS:: randPos => randPosEdge END TYPE meshEdge2DCart - !Boundary functions defined in the submodule Boundary - INTERFACE - MODULE SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE reflection - - MODULE SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE absorption - - MODULE SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE wallTemperature - - MODULE SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE transparent - - END INTERFACE - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCart CONTAINS PROCEDURE, PASS:: detJac => detJ2DCart @@ -295,6 +257,23 @@ MODULE moduleMesh2DCart END FUNCTION getNodes2DCart + PURE FUNCTION intersection2DCartEdge(self, r0, v0) RESULT(r) + IMPLICIT NONE + + CLASS(meshEdge2DCart), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3):: r + REAL(8), DIMENSION(1:3):: rS !base point of surface + REAL(8):: d + + rS = (/ self%x(1), self%y(1), 0.D0 /) + + d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + + r = r0 + v0*d + + END FUNCTION intersection2DCartEdge + !Calculates a random position in edge FUNCTION randPosEdge(self) RESULT(r) USE moduleRandom @@ -365,7 +344,7 @@ MODULE moduleMesh2DCart self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral xi = 0.D0 - detJ = self%detJac(xi)*4.D0 !4*2*pi + detJ = self%detJac(xi)*4.D0 !4 fPsi = self%fPsi(xi) self%volume = detJ self%arNodes = fPsi*detJ @@ -930,7 +909,6 @@ MODULE moduleMesh2DCart REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates REAL(8):: invJ(1:2,1:2), detJ REAL(8):: phi(1:3) - REAL(8):: dummy REAL(8):: EF(1:3) phi = (/self%n1%emData%phi, & diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 deleted file mode 100644 index e4cbe1c..0000000 --- a/src/modules/mesh/2DCart/moduleMesh2DCartBoundary.f90 +++ /dev/null @@ -1,154 +0,0 @@ -!moduleMesh2DCartBoundary: Boundary functions for cylindrical coordinates -SUBMODULE (moduleMesh2DCart) moduleMesh2DCartBoundary - USE moduleMesh2DCart - - CONTAINS - SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) - - !TODO: Try to do this without select - SELECT TYPE(edge) - TYPE IS(meshEdge2DCart) - edgeNorm = DSQRT((edge%y(2)-edge%y(1))**2 + (edge%x(2)-edge%x(1))**2) - cosT = (edge%x(2)-edge%x(1))/edgeNorm - sinT = DSQRT(1-cosT**2) - - rp(1) = part%r(1) - edge%x(1); - rp(2) = part%r(2) - edge%y(1); - - rpp(1) = cosT*rp(1) - sinT*rp(2) - rpp(2) = sinT*rp(1) + cosT*rp(2) - rpp(2) = -rpp(2) - - vpp(1) = cosT*part%v(1) - sinT*part%v(2) - vpp(2) = sinT*part%v(1) + cosT*part%v(2) - vpp(2) = -vpp(2) - - part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%x(1); - part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%y(1); - part%v(1) = cosT*vpp(1) + sinT*vpp(2) - part%v(2) = -sinT*vpp(1) + cosT*vpp(2) - - END SELECT - - part%n_in = .TRUE. - - END SUBROUTINE reflection - - !Absoption in a surface - SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: rEdge(1:2) !Position of particle projected to the edge - REAL(8):: a, b, c - REAL(8):: a2b2 - REAL(8):: d !Distance from particle to edge - - SELECT TYPE(edge) - TYPE IS(meshEdge2DCart) - a = (edge%x(1) - edge%x(2)) - b = (edge%y(1) - edge%y(2)) - c = edge%x(1)*edge%y(2) - edge%x(2)*edge%y(1) - - a2b2 = a**2 + b**2 - - rEdge(1) = (b*( b*part%r(1) - a*part%r(2)) - a*c)/a2b2 - rEdge(2) = (a*(-b*part%r(1) + a*part%r(2)) - b*c)/a2b2 - - d = NORM2(rEdge - part%r(1:2)) - !Reduce weight of particle by the distance to the edge and move it to the edge - IF (d > 0.D0) THEN - part%weight = part%weight / d - part%r(1:2) = rEdge - - END IF - - !Scatter particle in associated volume - IF (ASSOCIATED(edge%e1)) THEN - CALL edge%e1%scatter(part) - - ELSE - CALL edge%e2%scatter(part) - - END IF - - END SELECT - - !Remove particle from the domain - part%n_in = .FALSE. - - END SUBROUTINE absorption - - !Transparent boundary condition - SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - !Removes particle from domain - part%n_in = .FALSE. - - END SUBROUTINE transparent - - !Wall with temperature - SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - USE moduleBoundary - USE moduleRandom - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) - INTEGER:: i - - !Modifies particle velocity according to wall temperature - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) - TYPE IS(boundaryWallTemperature) - DO i = 1, 3 - part%v(i) = part%v(i) + bound%vTh*randomMaxwellian() - - END DO - - END SELECT - - !Reflects particle in the edge - SELECT TYPE(edge) - TYPE IS(meshEdge2DCart) - edgeNorm = DSQRT((edge%y(2)-edge%y(1))**2 + (edge%x(2)-edge%x(1))**2) - cosT = (edge%x(2)-edge%x(1))/edgeNorm - sinT = DSQRT(1-cosT**2) - - rp(1) = part%r(1) - edge%x(1); - rp(2) = part%r(2) - edge%y(1); - - rpp(1) = cosT*rp(1) - sinT*rp(2) - rpp(2) = sinT*rp(1) + cosT*rp(2) - rpp(2) = -rpp(2) - - vpp(1) = cosT*part%v(1) - sinT*part%v(2) - vpp(2) = sinT*part%v(1) + cosT*part%v(2) - vpp(2) = -vpp(2) - - part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%x(1); - part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%y(1); - part%v(1) = cosT*vpp(1) + sinT*vpp(2) - part%v(2) = -sinT*vpp(1) + cosT*vpp(2) - - END SELECT - - part%n_in = .TRUE. - - END SUBROUTINE wallTemperature - -END SUBMODULE moduleMesh2DCartBoundary diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 index db537c6..b91627a 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 @@ -65,7 +65,7 @@ MODULE moduleMesh2DCartRead ALLOCATE(self%IPIV(1:self%numNodes,1:self%numNodes)) self%K = 0.D0 self%IPIV = 0 - !Read nodes cartesian coordinates (x=x, y=y, z=null) + !Read node cartesian coordinates (x=x, y=y, z=null) DO e=1, self%numNodes READ(10, *) n, x, y ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) diff --git a/src/modules/mesh/2DCyl/makefile b/src/modules/mesh/2DCyl/makefile index fd8e453..ca2d7d1 100644 --- a/src/modules/mesh/2DCyl/makefile +++ b/src/modules/mesh/2DCyl/makefile @@ -1,11 +1,8 @@ -all : moduleMesh2DCyl.o moduleMesh2DCylBoundary.o moduleMesh2DCylRead.o +all : moduleMesh2DCyl.o moduleMesh2DCylRead.o moduleMesh2DCyl.o: moduleMesh2DCyl.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh2DCylBoundary.o: moduleMesh2DCyl.o moduleMesh2DCylBoundary.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleMesh2DCylRead.o: moduleMesh2DCyl.o moduleMesh2DCylBoundary.o moduleMesh2DCylRead.f90 +moduleMesh2DCylRead.o: moduleMesh2DCyl.o moduleMesh2DCylRead.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1376160..9303c1b 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -4,6 +4,7 @@ ! z == theta (unused) MODULE moduleMesh2DCyl USE moduleMesh + USE moduleMeshBoundary IMPLICIT NONE !Values for Gauss integral @@ -31,59 +32,11 @@ MODULE moduleMesh2DCyl CONTAINS PROCEDURE, PASS:: init => initEdge2DCyl PROCEDURE, PASS:: getNodes => getNodes2DCyl + PROCEDURE, PASS:: intersection => intersection2DCylEdge PROCEDURE, PASS:: randPos => randPosEdge END TYPE meshEdge2DCyl - !Boundary functions defined in the submodule Boundary - INTERFACE - MODULE SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE reflection - - MODULE SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE absorption - - MODULE SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE wallTemperature - - MODULE SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE transparent - - MODULE SUBROUTINE symmetryAxis(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE symmetryAxis - - END INTERFACE - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCyl CONTAINS PROCEDURE, PASS:: detJac => detJ2DCyl @@ -286,6 +239,23 @@ MODULE moduleMesh2DCyl END FUNCTION getNodes2DCyl + PURE FUNCTION intersection2DCylEdge(self, r0, v0) RESULT(r) + IMPLICIT NONE + + CLASS(meshEdge2DCyl), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3):: r + REAL(8), DIMENSION(1:3):: rS !base point of surface + REAL(8):: d + + rS = (/ self%z(1), self%r(1), 0.D0 /) + + d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + + r = r0 + v0*d + + END FUNCTION intersection2DCylEdge + !Calculates a random position in edge FUNCTION randPosEdge(self) RESULT(r) USE moduleRandom @@ -734,6 +704,7 @@ MODULE moduleMesh2DCyl xii(2) = random( 0.D0, 1.D0) xii(3) = 0.D0 + ALLOCATE(fPsi(1:3)) fPsi = self%fPsi(xii) r(1) = DOT_PRODUCT(fPsi, self%z) @@ -959,7 +930,6 @@ MODULE moduleMesh2DCyl REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates REAL(8):: invJ(1:2,1:2), detJ REAL(8):: phi(1:3) - REAL(8):: dummy REAL(8):: EF(1:3) phi = (/self%n1%emData%phi, & diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 deleted file mode 100644 index 7a1c581..0000000 --- a/src/modules/mesh/2DCyl/moduleMesh2DCylBoundary.f90 +++ /dev/null @@ -1,164 +0,0 @@ -!moduleMesh2DCylBoundary: Boundary functions for cylindrical coordinates -SUBMODULE (moduleMesh2DCyl) moduleMesh2DCylBoundary - USE moduleMesh2DCyl - - CONTAINS - SUBROUTINE reflection(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) - - !TODO: Try to do this without select - SELECT TYPE(edge) - TYPE IS(meshEdge2DCyl) - edgeNorm = DSQRT((edge%r(2)-edge%r(1))**2 + (edge%z(2)-edge%z(1))**2) - cosT = (edge%z(2)-edge%z(1))/edgeNorm - sinT = DSQRT(1-cosT**2) - - rp(1) = part%r(1) - edge%z(1); - rp(2) = part%r(2) - edge%r(1); - - rpp(1) = cosT*rp(1) - sinT*rp(2) - rpp(2) = sinT*rp(1) + cosT*rp(2) - rpp(2) = -rpp(2) - - vpp(1) = cosT*part%v(1) - sinT*part%v(2) - vpp(2) = sinT*part%v(1) + cosT*part%v(2) - vpp(2) = -vpp(2) - - part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%z(1); - part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%r(1); - part%v(1) = cosT*vpp(1) + sinT*vpp(2) - part%v(2) = -sinT*vpp(1) + cosT*vpp(2) - - END SELECT - - part%n_in = .TRUE. - - END SUBROUTINE reflection - - !Absoption in a surface - SUBROUTINE absorption(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: rEdge(1:2) !Position of particle projected to the edge - REAL(8):: a, b, c - REAL(8):: a2b2 - REAL(8):: d !Distance from particle to edge - - SELECT TYPE(edge) - TYPE IS(meshEdge2DCyl) - a = (edge%z(1) - edge%z(2)) - b = (edge%r(1) - edge%r(2)) - c = edge%z(1)*edge%r(2) - edge%z(2)*edge%r(1) - - a2b2 = a**2 + b**2 - - rEdge(1) = (b*( b*part%r(1) - a*part%r(2)) - a*c)/a2b2 - rEdge(2) = (a*(-b*part%r(1) + a*part%r(2)) - b*c)/a2b2 - - d = NORM2(rEdge - part%r(1:2)) - !Reduce weight of particle by the distance to the edge and move it to the edge - IF (d > 0.D0) THEN - part%weight = part%weight / d - part%r(1:2) = rEdge - - END IF - - !Scatter particle in associated volume - IF (ASSOCIATED(edge%e1)) THEN - CALL edge%e1%scatter(part) - - ELSE - CALL edge%e2%scatter(part) - - END IF - - END SELECT - - !Remove particle from the domain - part%n_in = .FALSE. - - END SUBROUTINE absorption - - !Transparent boundary condition - SUBROUTINE transparent(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - !Removes particle from domain - part%n_in = .FALSE. - - END SUBROUTINE transparent - - !Wall with temperature - SUBROUTINE wallTemperature(edge, part) - USE moduleSpecies - USE moduleBoundary - USE moduleRandom - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - REAL(8):: edgeNorm, cosT, sinT, rp(1:2), rpp(1:2), vpp(1:2) - INTEGER:: i - - !Modifies particle velocity according to wall temperature - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) - TYPE IS(boundaryWallTemperature) - DO i = 1, 3 - part%v(i) = part%v(i) + bound%vTh*randomMaxwellian() - - END DO - - END SELECT - - !Reflects particle in the edge - SELECT TYPE(edge) - TYPE IS(meshEdge2DCyl) - edgeNorm = DSQRT((edge%r(2)-edge%r(1))**2 + (edge%z(2)-edge%z(1))**2) - cosT = (edge%z(2)-edge%z(1))/edgeNorm - sinT = DSQRT(1-cosT**2) - - rp(1) = part%r(1) - edge%z(1); - rp(2) = part%r(2) - edge%r(1); - - rpp(1) = cosT*rp(1) - sinT*rp(2) - rpp(2) = sinT*rp(1) + cosT*rp(2) - rpp(2) = -rpp(2) - - vpp(1) = cosT*part%v(1) - sinT*part%v(2) - vpp(2) = sinT*part%v(1) + cosT*part%v(2) - vpp(2) = -vpp(2) - - part%r(1) = cosT*rpp(1) + sinT*rpp(2) + edge%z(1); - part%r(2) = -sinT*rpp(1) + cosT*rpp(2) + edge%r(1); - part%v(1) = cosT*vpp(1) + sinT*vpp(2) - part%v(2) = -sinT*vpp(1) + cosT*vpp(2) - - END SELECT - - part%n_in = .TRUE. - - END SUBROUTINE wallTemperature - - !Symmetry axis. Dummy function - SUBROUTINE symmetryAxis(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - END SUBROUTINE symmetryAxis - -END SUBMODULE moduleMesh2DCylBoundary diff --git a/src/modules/mesh/3DCart/makefile b/src/modules/mesh/3DCart/makefile new file mode 100644 index 0000000..0c77a10 --- /dev/null +++ b/src/modules/mesh/3DCart/makefile @@ -0,0 +1,8 @@ +all : moduleMesh3DCart.o moduleMesh3DCartRead.o + +moduleMesh3DCart.o: moduleMesh3DCart.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +moduleMesh3DCartRead.o: moduleMesh3DCart.o moduleMesh3DCartRead.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 new file mode 100644 index 0000000..d01e820 --- /dev/null +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -0,0 +1,672 @@ +!moduleMesh3DCart: 3D Cartesian coordinate system +! x == x +! y == y +! z == z +MODULE moduleMesh3DCart + USE moduleMesh + USE moduleMeshBoundary + IMPLICIT NONE + + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode3DCart + !Element coordinates + REAL(8):: x, y, z + CONTAINS + PROCEDURE, PASS:: init => initNode3DCart + PROCEDURE, PASS:: getCoordinates => getCoord3DCart + + END TYPE meshNode3DCart + + !Triangular surface element + TYPE, PUBLIC, EXTENDS(meshEdge):: meshEdge3DCartTria + !Element coordinates + REAL(8):: x(1:3) = 0.D0, y(1:3) = 0.D0, z(1:3) = 0.D0 + !Connectivity to nodes + CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() + CONTAINS + PROCEDURE, PASS:: init => initEdge3DCartTria + PROCEDURE, PASS:: getNodes => getNodes3DCartTria + PROCEDURE, PASS:: intersection => intersection3DCartTria + PROCEDURE, PASS:: randPos => randPosEdgeTria + PROCEDURE, NOPASS:: fPsi => fPsiEdgeTria + + END TYPE meshEdge3DCartTria + + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol3DCart + CONTAINS + PROCEDURE, PASS:: detJac => detJ3DCart + PROCEDURE, PASS:: invJac => invJ3DCart + PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi + PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi + PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer + + END TYPE meshVol3DCart + + ABSTRACT INTERFACE + PURE FUNCTION fPsi_interface(xii) RESULT(fPsi) + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + END FUNCTION fPsi_interface + + PURE FUNCTION dPsi_interface(xii) RESULT(dPsi) + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: dPsi(:,:) + + END FUNCTION dPsi_interface + + PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy, dz) + IMPORT meshVol3DCart + CLASS(meshVol3DCart), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:,1:) + REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz + + END SUBROUTINE partialDer_interface + + END INTERFACE + + !Tetrahedron volume element + TYPE, PUBLIC, EXTENDS(meshVol3DCart):: meshVol3DCartTetra + !Element Coordinates + REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0, z(1:4) = 0.D0 + !Connectivity to nodes + CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() + !Connectivity to adjacent elements + CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() + CONTAINS + PROCEDURE, PASS:: init => initVolTetra3DCart + PROCEDURE, PASS:: randPos => randPosVolTetra + PROCEDURE, PASS:: calcVol => volumeTetra + PROCEDURE, NOPASS:: fPsi => fPsiTetra + PROCEDURE, NOPASS:: dPsi => dPsiTetra + PROCEDURE, NOPASS:: dPsiXi1 => dPsiTetraXii1 + PROCEDURE, NOPASS:: dPsiXi2 => dPsiTetraXii2 + PROCEDURE, PASS:: partialDer => partialDerTetra + PROCEDURE, PASS:: elemK => elemKTetra + PROCEDURE, PASS:: elemF => elemFTetra + PROCEDURE, NOPASS:: weight => weightTetra + PROCEDURE, NOPASS:: inside => insideTetra + PROCEDURE, PASS:: scatter => scatterTetra + PROCEDURE, PASS:: gatherEF => gatherEFTetra + PROCEDURE, PASS:: getNodes => getNodesTetra + PROCEDURE, PASS:: phy2log => phy2logTetra + PROCEDURE, PASS:: nextElement => nextElementTetra + + END TYPE meshVol3DCartTetra + + CONTAINS + !NODE FUNCTIONS + !Inits node element + SUBROUTINE initNode3DCart(self, n, r) + USE moduleSpecies + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshNode3DCart), INTENT(out):: self + INTEGER, INTENT(in):: n + REAL(8), INTENT(in):: r(1:3) + + self%n = n + self%x = r(1)/L_ref + self%y = r(2)/L_ref + self%z = r(3)/L_ref + !Node volume, to be determined in mesh + self%v = 0.D0 + + !Allocates output: + ALLOCATE(self%output(1:nSpecies)) + + END SUBROUTINE initNode3DCart + + !Get coordinates from node + PURE FUNCTION getCoord3DCart(self) RESULT(r) + IMPLICIT NONE + + CLASS(meshNode3DCart), INTENT(in):: self + REAL(8):: r(1:3) + + r = (/self%x, self%y, self%z/) + + END FUNCTION getCoord3DCart + + !SURFACE FUNCTIONS + !Inits surface element + SUBROUTINE initEdge3DCartTria(self, n, p, bt, physicalSurface) + USE moduleSpecies + USE moduleBoundary + USE moduleErrors + IMPLICIT NONE + + CLASS(meshEdge3DCartTria), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + INTEGER, INTENT(in):: bt + INTEGER, INTENT(in):: physicalSurface + REAL(8), DIMENSION(1:3):: r1, r2, r3 + INTEGER:: s + + self%n = n + self%n1 => mesh%nodes(p(1))%obj + self%n3 => mesh%nodes(p(2))%obj + self%n3 => mesh%nodes(p(3))%obj + !Get element coordinates + r1 = self%n1%getCoordinates() + r2 = self%n2%getCoordinates() + r3 = self%n3%getCoordinates() + self%x = (/r1(1), r2(1), r3(1)/) + self%y = (/r1(2), r2(2), r3(2)/) + self%z = (/r1(3), r2(3), r3(3)/) + !Normal vector + self%normal = (/ (self%y(2)-self%y(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)), & + (self%x(2)-self%x(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%x(3)-self%x(1)), & + (self%x(2)-self%x(1))*(self%y(3)-self%y(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)) /) + + !Boundary index + self%boundary => boundary(bt) + ALLOCATE(self%fBoundary(1:nSpecies)) + !Assign functions to boundary + DO s = 1, nSpecies + SELECT TYPE(obj => self%boundary%bTypes(s)%obj) + TYPE IS(boundaryAbsorption) + self%fBoundary(s)%apply => absorption + + TYPE IS(boundaryReflection) + self%fBoundary(s)%apply => reflection + + TYPE IS(boundaryTransparent) + self%fBoundary(s)%apply => transparent + + TYPE IS(boundaryWallTemperature) + self%fBoundary(s)%apply => wallTemperature + + CLASS DEFAULT + CALL criticalError("Boundary type not defined in this geometry", 'initEdge3DCart') + + END SELECT + + END DO + + !Physical surface + self%physicalSurface = physicalSurface + + END SUBROUTINE initEdge3DCartTria + + !Get nodes from surface + PURE FUNCTION getNodes3DCartTria(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshEdge3DCartTria), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + ALLOCATE(n(1:3)) + n = (/self%n1%n, self%n2%n, self%n3%n/) + + END FUNCTION getNodes3DCartTria + + PURE FUNCTION intersection3DCartTria(self, r0, v0) RESULT(r) + IMPLICIT NONE + + CLASS(meshEdge3DCartTria), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3):: r + REAL(8), DIMENSION(1:3):: rS !base point of surface + REAL(8):: d + + rS = (/ self%x(1), self%y(1), self%z(1) /) + + d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + + r = r0 + v0*d + + END FUNCTION intersection3DCartTria + + !Calculates a random position in the surface + FUNCTION randPosEdgeTria(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshEdge3DCartTria), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: xii(1:3) + REAL(8):: fPsi(1:3) + + xii = (/random(), random(), 0.D0 /) + + fPsi = self%fPsi(xii) + r = (/DOT_PRODUCT(fPsi, self%x), & + DOT_PRODUCT(fPsi, self%y), & + DOT_PRODUCT(fPsi, self%z)/) + + END FUNCTION randPosEdgeTria + + !Shape functions for triangular surface + PURE FUNCTION fPsiEdgeTria(xii) RESULT(fPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + ALLOCATE(fPsi(1:3)) + + fPsi(1) = 1.D0 - xii(1) - xii(2) + fPsi(2) = xii(1) + fPsi(3) = xii(2) + + END FUNCTION fPsiEdgeTria + + !VOLUME FUNCTIONS + !TETRA FUNCTIONS + !Inits tetrahedron element + SUBROUTINE initVolTetra3DCart(self, n, p) + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 !Positions of each node + REAL(8):: volNodes(1:4) !Volume of each node + + self%n = n + self%n1 => mesh%nodes(p(1))%obj + self%n2 => mesh%nodes(p(2))%obj + self%n3 => mesh%nodes(p(3))%obj + self%n4 => mesh%nodes(p(4))%obj + !Get element coordinates + r1 = self%n1%getCoordinates() + r2 = self%n2%getCoordinates() + r3 = self%n3%getCoordinates() + r4 = self%n4%getCoordinates() + self%x = (/r1(1), r2(1), r3(1), r4(1)/) + self%y = (/r1(2), r2(2), r3(2), r4(2)/) + self%z = (/r1(3), r2(3), r3(3), r4(3)/) + + !Computes the element volume + CALL self%calcVol() + + !Assign proportional volume to each node + !TODO: Review this to apply to all elements in the future + volNodes = self%fPsi((/0.25D0, 0.25D0, 0.25D0/))*self%volume + self%n1%v = self%n1%v + volNodes(1) + self%n2%v = self%n2%v + volNodes(2) + self%n3%v = self%n3%v + volNodes(3) + self%n4%v = self%n4%v + volNodes(4) + + self%sigmaVrelMax = sigma_ref/L_ref**2 + + CALL OMP_INIT_LOCK(self%lock) + + END SUBROUTINE initVolTetra3DCart + + !Random position in volume tetrahedron + FUNCTION randPosVolTetra(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + xii(1) = random(0.D0, 1.D0) + xii(2) = random(0.D0, 1.D0) + xii(3) = random(0.D0, 1.D0) + + ALLOCATE(fPsi(1:4)) + fPsi = self%fPsi(xii) + + r(1) = DOT_PRODUCT(fPsi, self%x) + r(2) = DOT_PRODUCT(fPsi, self%y) + r(3) = DOT_PRODUCT(fPsi, self%z) + + END FUNCTION randPosVolTetra + + !Computes the element volume + PURE SUBROUTINE volumeTetra(self) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(inout):: self + REAL(8):: xii(1:3) + + self%volume = 0.D0 + xii = (/0.25D0, 0.25D0, 0.25D0/) + self%volume = self%detJac(xii) + + END SUBROUTINE volumeTetra + + !Computes element functions in point xii + PURE FUNCTION fPsiTetra(xii) RESULT(fPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + ALLOCATE(fPsi(1:4)) + + fPsi(1) = 1.D0 - xii(1) - xii(2) - xii(3) + fPsi(2) = xii(1) + fPsi(3) = xii(2) + fPsi(4) = xii(3) + + END FUNCTION fPsiTetra + + !Derivative element function at coordinates xii + PURE FUNCTION dPsiTetra(xii) RESULT(dPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: dPsi(:,:) + + ALLOCATE(dPsi(1:3,1:4)) + + dPsi(1,:) = dPsiTetraXii1(xii(2), xii(3)) + dPsi(2,:) = dPsiTetraXii2(xii(1), xii(3)) + dPsi(3,:) = dPsiTetraXii3(xii(1), xii(2)) + + END FUNCTION dPsiTetra + + !Derivative element function respect to xii1 + PURE FUNCTION dPsiTetraXii1(xii2, xii3) RESULT(dPsiXii1) + IMPLICIT NONE + REAL(8), INTENT(in):: xii2, xii3 + REAL(8):: dPsiXii1(1:4) + + dPsiXii1(1) = -1.D0 + dPsiXii1(2) = 1.D0 + dPsiXii1(3) = 0.D0 + dPsiXii1(4) = 0.D0 + + END FUNCTION dPsiTetraXii1 + + !Derivative element function respect to xii2 + PURE FUNCTION dPsiTetraXii2(xii1, xii3) RESULT(dPsiXii2) + IMPLICIT NONE + REAL(8), INTENT(in):: xii1, xii3 + REAL(8):: dPsiXii2(1:4) + + dPsiXii2(1) = -1.D0 + dPsiXii2(2) = 0.D0 + dPsiXii2(3) = 1.D0 + dPsiXii2(4) = 0.D0 + + END FUNCTION dPsiTetraXii2 + + !Derivative element function respect to xii3 + PURE FUNCTION dPsiTetraXii3(xii1, xii2) RESULT(dPsiXii3) + IMPLICIT NONE + REAL(8), INTENT(in):: xii1, xii2 + REAL(8):: dPsiXii3(1:4) + + dPsiXii3(1) = -1.D0 + dPsiXii3(2) = 0.D0 + dPsiXii3(3) = 0.D0 + dPsiXii3(4) = 1.D0 + + END FUNCTION dPsiTetraXii3 + + !Computes the derivatives in global coordinates + PURE SUBROUTINE partialDerTetra(self, dPsi, dx, dy, dz) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:, 1:) + REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz + + dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) + dx(2) = DOT_PRODUCT(dPsi(2,:), self%x) + dx(3) = DOT_PRODUCT(dPsi(3,:), self%x) + + dy(1) = DOT_PRODUCT(dPsi(1,:), self%y) + dy(2) = DOT_PRODUCT(dPsi(2,:), self%y) + dy(3) = DOT_PRODUCT(dPsi(3,:), self%y) + + dz(1) = DOT_PRODUCT(dPsi(1,:), self%z) + dz(2) = DOT_PRODUCT(dPsi(2,:), self%z) + dz(3) = DOT_PRODUCT(dPsi(3,:), self%z) + + END SUBROUTINE partialDerTetra + + PURE FUNCTION elemKTetra(self) RESULT(ke) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8):: xii(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: ke(1:4,1:4) + REAL(8):: invJ(1:3,1:3), detJ + + !TODO: One point Gauss integral. Upgrade when possible + ke = 0.D0 + xii = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(xii) + detJ = self%detJac(xii, dPsi) + invJ = self%invJac(xii, dPsi) + fPsi = self%fPsi(xii) + ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ + + END FUNCTION elemKTetra + + PURE FUNCTION elemFTetra(self, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: source(1:) + REAL(8), ALLOCATABLE:: localF(:) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: xii(1:3) + REAL(8):: detJ, f + + ALLOCATE(localF(1:4)) + localF = 0.D0 + xii = 0.D0 + !TODO: One point Gauss integral. Upgrade when possible + xii = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(xii) + detJ = self%detJac(xii, dPsi) + fPsi = self%fPsi(xii) + f = DOT_PRODUCT(fPsi, source) + localF = localF + f*fPsi*1.D0*detJ + + END FUNCTION elemFTetra + + PURE FUNCTION weightTetra(xii) RESULT(w) + IMPLICIT NONE + REAL(8), INTENT(in):: xii(1:3) + REAL(8), ALLOCATABLE:: w(:) + + w = fPsiTetra(xii) + + END FUNCTION weightTetra + + PURE FUNCTION insideTetra(xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + LOGICAL:: ins + + ins = xi(1) >= 0.D0 .AND. & + xi(2) >= 0.D0 .AND. & + xi(3) >= 0.D0 .AND. & + 1.D0 - xi(1) - xi(2) - xi(3) >= 0.D0 + + END FUNCTION insideTetra + + SUBROUTINE scatterTetra(self, part) + USE moduleOutput + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + CLASS(particle), INTENT(in):: part + TYPE(outputNode), POINTER:: vertex + REAL(8):: w_p(1:4) + REAL(8):: tensorS(1:3, 1:3) + + w_p = self%weight(part%xi) + tensorS = outerProduct(part%v, part%v) + + vertex => self%n1%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(1) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + + vertex => self%n2%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(2) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + + vertex => self%n3%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(3) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + + vertex => self%n4%output(part%sp) + vertex%den = vertex%den + part%weight*w_p(4) + vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + + END SUBROUTINE scatterTetra + + PURE FUNCTION gatherEFTetra(self, xi) RESULT(EF) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: dPsi(1:3, 1:4) + REAL(8):: dPsiR(1:3, 1:4) + REAL(8):: invJ(1:3, 1:3), detJ + REAL(8):: phi(1:4) + REAL(8):: EF(1:3) + + phi = (/self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi, & + self%n4%emData%phi /) + + dPsi = self%dPsi(xi) + detJ = self%detJac(xi, dPsi) + invJ = self%invJac(xi, dPsi) + dPsiR = MATMUL(invJ, dPsi)/detJ + EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) + EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) + EF(3) = -DOT_PRODUCT(dPsiR(3,:), phi) + + END FUNCTION gatherEFTetra + + PURE FUNCTION getNodesTetra(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + ALLOCATE(n(1:4)) + n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) + + END FUNCTION getNodesTetra + + PURE FUNCTION phy2logTetra(self,r) RESULT(xi) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: r(1:3) + REAL(8):: xi(1:3) + REAL(8):: invJ(1:3, 1:3), detJ + REAL(8):: deltaR(1:3) + REAL(8):: dPsi(1:3, 1:4) + + xi = 0.D0 + deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) + dPsi = self%dPsi(xi) + invJ = self%invJac(xi, dPsi) + detJ = self%detJac(xi, dPsi) + xi = MATMUL(invJ, deltaR)/detJ + + END FUNCTION phy2logTetra + + SUBROUTINE nextElementTetra(self, xi, nextElement) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + CLASS(*), POINTER, INTENT(out):: nextElement + REAL(8):: xiArray(1:4) + INTEGER:: nextInt + + !TODO: Review when connectivity + xiArray = (/ xi(3), xi(2), 1.D0 - xi(1) - xi(2) - xi(3), xi(1) /) + nextInt = MINLOC(xiArray, 1) + NULLIFY(nextElement) + SELECT CASE(nextInt) + CASE (1) + nextElement => self%e1 + CASE (2) + nextElement => self%e2 + CASE (3) + nextElement => self%e3 + CASE (4) + nextElement => self%e4 + END SELECT + + END SUBROUTINE nextElementTetra + + !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 3D + !Computes element Jacobian determinant + PURE FUNCTION detJ3DCart(self, xi, dPsi_in) RESULT(dJ) + IMPLICIT NONE + + CLASS(meshVol3DCart), INTENT(in)::self + REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:, 1:) + REAL(8):: dJ + REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dx(1:3), dy(1:3), dz(1:3) + + IF (PRESENT(dPsi_in)) THEN + dPsi = dPsi_in + + ELSE + dPsi = self%dPsi(xi) + + END IF + + CALL self%partialDer(dPsi, dx, dy, dz) + dJ = dx(1)*(dy(2)*dz(3) - dy(3)*dz(2)) & + - dx(2)*(dy(1)*dz(3) - dy(3)*dz(1)) & + + dx(3)*(dy(1)*dz(2) - dy(2)*dz(1)) + + END FUNCTION detJ3DCart + + PURE FUNCTION invJ3DCart(self,xi,dPsi_in) RESULT(invJ) + IMPLICIT NONE + + CLASS(meshVol3DCart), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) + REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), DIMENSION(1:3):: dx, dy, dz + REAL(8):: invJ(1:3,1:3) + + IF(PRESENT(dPsi_in)) THEN + dPsi=dPsi_in + + ELSE + dPsi = self%dPsi(xi) + + END IF + + CALL self%partialDer(dPsi, dx, dy, dz) + invJ(1,1) = (dy(2)*dz(3) - dy(3)*dz(2)) + invJ(1,2) = -(dy(1)*dz(3) - dy(3)*dz(1)) + invJ(1,3) = (dy(1)*dz(2) - dy(2)*dz(1)) + + invJ(2,1) = -(dx(2)*dz(3) - dx(3)*dz(2)) + invJ(2,2) = (dx(1)*dz(3) - dx(3)*dz(1)) + invJ(2,3) = -(dx(1)*dz(2) - dx(2)*dz(1)) + + invJ(3,1) = -(dx(2)*dy(3) - dx(3)*dy(2)) + invJ(3,2) = (dx(1)*dy(3) - dx(3)*dy(1)) + invJ(3,3) = -(dx(1)*dy(2) - dx(2)*dy(1)) + + END FUNCTION invJ3DCart + +END MODULE moduleMesh3DCart + diff --git a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 new file mode 100644 index 0000000..a2197a4 --- /dev/null +++ b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 @@ -0,0 +1,470 @@ +MODULE moduleMesh3DCartRead + USE moduleMesh + USE moduleMesh3DCart + + TYPE, EXTENDS(meshGeneric):: mesh3DCartGeneric + CONTAINS + PROCEDURE, PASS:: init => init3DCartMesh + PROCEDURE, PASS:: readMesh => readMesh3DCartGmsh + + END TYPE + + INTERFACE connect + MODULE PROCEDURE connectedVolVol, connectedVolEdge + + END INTERFACE connect + + CONTAINS + !Init mesh + SUBROUTINE init3DCartMesh(self, meshFormat) + USE moduleMesh + USE moduleErrors + IMPLICIT NONE + + CLASS(mesh3DCartGeneric), INTENT(out):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat + + SELECT CASE(meshFormat) + CASE ("gmsh") + self%printOutput => printOutputGmsh + self%printColl => printCollGmsh + self%printEM => printEMGmsh + + CASE DEFAULT + CALL criticalError("Mesh type " // meshFormat // " not supported.", "init3DCartMesh") + + END SELECT + + END SUBROUTINE init3DCartMesh + + !Read mesh from gmsh file + SUBROUTINE readMesh3DCartGmsh(self, filename) + USE moduleBoundary + IMPLICIT NONE + + CLASS(mesh3DCartGeneric), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8):: x, y, z + INTEGER:: p(1:4) + INTEGER:: e = 0, et = 0, n = 0, eTemp = 0, elemType = 0, bt = 0 + INTEGER:: totalNumElem + INTEGER:: boundaryType + + !Read mesh + OPEN(10, FILE=TRIM(filename)) + !Skip header + READ(10, *) + READ(10, *) + READ(10, *) + READ(10, *) + !Read number of nodes + READ(10, *) self%numNodes + !Allocate required matrices and vectors + ALLOCATE(self%nodes(1:self%numNodes)) + ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + + !Read node cartesian coordinates (x = x, y = y, z = z) + DO e = 1, self%numNodes + READ(10, *) n, x, y, z + ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x, y, z /)) + + END DO + + !Skip comments + READ(10, *) + READ(10, *) + + !Reads total number of elements + READ(10, *) totalNumElem + !conts edges and volume elements + self%numEdges = 0 + DO e = 1, totalNumElem + READ(10, *) eTemp, elemType + IF (elemType == 2) THEN + self%numEdges = e + + END IF + + END DO + + !Substract the number of edges to the total number of elements to obtain the number + !of volume elements + self%numVols = totalNumElem - self%numEdges + + !Allocate required arrays + ALLOCATE(self%edges(1:self%numEdges)) + ALLOCATE(self%vols(1:self%numVols)) + + !Go back to the beggining to read each specific element + DO e = 1, totalNumElem + BACKSPACE(10) + + END DO + + !Reads surfaces + DO e = 1, self%numEdges + READ(10, *) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE(2) + !Triangular surface + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1:3) + bt = getBoundaryID(boundaryType) + + ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:3), bt, boundaryType) + + END SELECT + + END DO + + !Read and initialize volumes + DO e = 1, self%numVols + READ(10, *) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE(4) + !Tetrahedron element + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol3DCartTetra:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) + + END SELECT + + END DO + + CLOSE(10) + + !Build connectivy between elements + DO e = 1, self%numVols + !Connectivity between volumes + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connected(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connectivity between vols and surfaces + DO et = 1, self%numEdges + CALL connected(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + !Constructs the global K matrix + CALL constructGlobalK(self%K, self%vols(e)%obj) + + END DO + + END SUBROUTINE readMesh3DCartGmsh + + !Selects type of elements to build connection + SUBROUTINE connectedVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol3DCartTetra) + !Element A is a tetrahedron + SELECT TYPE(elemB) + TYPE IS(meshVol3DCartTetra) + !Element B is a tetrahedron + CALL connectedTetraTetra(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectedVolVol + + + SUBROUTINE connectedVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemB) + CLASS IS(meshEdge3DCartTria) + SELECT TYPE(elemA) + TYPE IS(meshVol3DCartTetra) + !Element A is a tetrahedron + CALL connectedTetraEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectedVolEdge + + SUBROUTINE connectedTetraTetra(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemB + + !TODO: Try to find a much clear way to do this + + !Check surface 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n)) THEN + + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n2%n)) THEN + + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n)) THEN + + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n)) THEN + + elemA%e1 => elemB + elemB%e4 => elemA + + END IF + + END IF + + !Check surface 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n2%n)) THEN + + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e2 => elemB + elemB%e4 => elemA + + END IF + + END IF + + !Check surface 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF ((elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n2%n)) THEN + + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF ((elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF ((elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e3 => elemB + elemB%e4 => elemA + + END IF + + END IF + !Check surface 4 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n2%n)) THEN + + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e4 => elemB + elemB%e3 => elemA + + ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n4%n) .OR. & + (elemA%n1%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e4 => elemB + elemB%e4 => elemA + + END IF + + END IF + + END SUBROUTINE connectedTetraTetra + + SUBROUTINE connectedTetraEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB + + END SUBROUTINE connectedTetraEdge + + SUBROUTINE constructGlobalK(K, elem) + IMPLICIT NONE + + REAL(8), INTENT(inout):: K(1:, 1:) + CLASS(meshVol), INTENT(in):: elem + REAL(8), ALLOCATABLE:: localK(:,:) + INTEGER:: nNodes, i, j + INTEGER, ALLOCATABLE:: n(:) + + END SUBROUTINE constructGlobalK + +END MODULE moduleMesh3DCartRead diff --git a/src/modules/mesh/makefile b/src/modules/mesh/makefile index 0eeaa23..9849ba9 100644 --- a/src/modules/mesh/makefile +++ b/src/modules/mesh/makefile @@ -1,4 +1,7 @@ -all: moduleMesh.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o +all: moduleMesh.o moduleMeshBoundary.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o + +3DCart.o: + $(MAKE) -C 3DCart all 2DCyl.o: $(MAKE) -C 2DCyl all @@ -15,3 +18,5 @@ all: moduleMesh.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o moduleMesh.o: moduleMesh.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ +moduleMeshBoundary.o: moduleMesh.o moduleMeshBoundary.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 5158135..f5f7b47 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -68,13 +68,15 @@ MODULE moduleMesh !Physical surface for the edge INTEGER:: physicalSurface CONTAINS - PROCEDURE(initEdge_interface), DEFERRED, PASS:: init - PROCEDURE(getNodesEdge_interface), DEFERRED, PASS:: getNodes - PROCEDURE(randPosEdge_interface), DEFERRED, PASS:: randPos + PROCEDURE(initEdge_interface), DEFERRED, PASS:: init + PROCEDURE(getNodesEdge_interface), DEFERRED, PASS:: getNodes + PROCEDURE(intersectionEdge_interface), DEFERRED, PASS:: intersection + PROCEDURE(randPosEdge_interface), DEFERRED, PASS:: randPos END TYPE meshEdge ABSTRACT INTERFACE + !Inits the edge parameters SUBROUTINE initEdge_interface(self, n, p, bt, physicalSurface) IMPORT:: meshEdge @@ -86,13 +88,24 @@ MODULE moduleMesh END SUBROUTINE initEdge_interface + !Get nodes index from node PURE FUNCTION getNodesEdge_interface(self) RESULT(n) IMPORT:: meshEdge CLASS(meshEdge), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) - END FUNCTION + END FUNCTION getNodesEdge_interface + !Returns the intersecction between an edge and a line defined by point r0 and vector v0 + PURE FUNCTION intersectionEdge_interface(self, r0, v0) RESULT(r) + IMPORT:: meshEdge + CLASS(meshEdge), INTENT(in):: self + REAL(8), INTENT(in), DIMENSION(1:3):: r0, v0 + REAL(8):: r(1:3) + + END FUNCTION intersectionEdge_interface + + !Returns a random position in the edge FUNCTION randPosEdge_interface(self) RESULT(r) IMPORT:: meshEdge CLASS(meshEdge), INTENT(in):: self @@ -391,11 +404,8 @@ MODULE moduleMesh IMPLICIT NONE CLASS(meshVol), INTENT(inout):: self - INTEGER:: modCollisions !Remain of current iteration and everyCollisions - INTEGER:: iterToCollisions !Number of iterations from current to next collision INTEGER:: nPart !Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision - INTEGER:: nCollIter !Number of collisions to be computed in this iteration INTEGER:: rnd !random index TYPE(particle), POINTER:: part_i, part_j INTEGER:: n !collision diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 new file mode 100644 index 0000000..97602f4 --- /dev/null +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -0,0 +1,121 @@ +!moduleMeshBoundary: Boundary functions +MODULE moduleMeshBoundary + USE moduleMesh + + CONTAINS + SUBROUTINE reflection(edge, part) + USE moduleCaseParam + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + !rp = intersection between particle and edge + !rpp = final position of particle + !vpp = final velocity of particle + REAL(8), DIMENSION(1:3):: rp, rpp, vpp + REAL(8):: taup !time step for reflecting process + + !Reflect particle velocity + vpp = part%v - 2.D0*DOT_PRODUCT(part%v, edge%normal)*edge%normal + + !Computes the intersection between particle and surface + rp = edge%intersection(part%r, part%v) + + !Computes the reflection time step + taup = NORM2(part%r - rp)*tau(part%sp) + + !New position of particle + rpp = rp + vpp*taup + + !assign new parameters to particle + part%r = rpp + part%v = vpp + part%n_in = .TRUE. + + END SUBROUTINE reflection + + !Absoption in a surface + SUBROUTINE absorption(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + REAL(8):: rpp(1:3) !Position of particle projected to the edge + REAL(8):: d !Distance from particle to edge + + rpp = edge%intersection(part%r, part%v) + + d = NORM2(rpp - part%r) + + IF (d >= 0.D0) THEN + part%weight = part%weight/d + + END IF + + !Assign new position to particle + part%r = rpp + !Remove particle from the domain + part%n_in = .FALSE. + + !Scatter particle in associated volume + IF (ASSOCIATED(edge%e1)) THEN + CALL edge%e1%scatter(part) + + ELSE + CALL edge%e2%scatter(part) + + END IF + + END SUBROUTINE absorption + + !Transparent boundary condition + SUBROUTINE transparent(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + !Removes particle from domain + part%n_in = .FALSE. + + END SUBROUTINE transparent + + !Wall with temperature + SUBROUTINE wallTemperature(edge, part) + USE moduleSpecies + USE moduleBoundary + USE moduleRandom + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + INTEGER:: i + + !Modifies particle velocity according to wall temperature + SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) + TYPE IS(boundaryWallTemperature) + DO i = 1, 3 + part%v(i) = part%v(i) + bound%vTh*randomMaxwellian() + + END DO + + END SELECT + + CALL reflection(edge, part) + + END SUBROUTINE wallTemperature + + !Symmetry axis. Dummy function + SUBROUTINE symmetryAxis(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + END SUBROUTINE symmetryAxis + +END MODULE moduleMeshBoundary diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 924c1b6..a70bfb6 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -277,7 +277,7 @@ MODULE moduleCollisions REAL(8), INTENT(in):: sigmaVrelMax REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - TYPE(particle), POINTER:: electron, neutral + TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() TYPE(particle), POINTER:: newElectron REAL(8):: vRel, eRel REAL(8):: sigmaVrel @@ -408,7 +408,7 @@ MODULE moduleCollisions REAL(8), INTENT(in):: sigmaVrelMax REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - TYPE(particle), POINTER:: electron, ion + TYPE(particle), POINTER:: electron => NULL(), ion => NULL() REAL(8):: vRel, eRel REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_i From 1f077eeb91d5042ac18620611091f76ec424b4c7 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 6 Mar 2021 19:19:46 +0100 Subject: [PATCH 008/203] Modifications to cases to fix minor issues. Work in having a 1D Cathode model working --- runs/1D_Cathode/mesh.geo | 4 +- runs/1D_Cathode/mesh.msh | 206 ++++++++--------------------- runs/ALPHIE_Grid/inputDiffTau.json | 4 +- runs/ALPHIE_Grid/inputSameTau.json | 4 +- 4 files changed, 59 insertions(+), 159 deletions(-) diff --git a/runs/1D_Cathode/mesh.geo b/runs/1D_Cathode/mesh.geo index 9b7882f..657bb89 100644 --- a/runs/1D_Cathode/mesh.geo +++ b/runs/1D_Cathode/mesh.geo @@ -1,7 +1,7 @@ -Lcell = 0.00005; +Lcell = 0.00004; x0 = 0.001; -xf = x0 + 100.0*Lcell; +xf = x0 + 50.0*Lcell; Point(1) = {x0, 0, 0, 1}; Point(2) = {xf, 0, 0, 1}; diff --git a/runs/1D_Cathode/mesh.msh b/runs/1D_Cathode/mesh.msh index 01896a4..4f990d7 100644 --- a/runs/1D_Cathode/mesh.msh +++ b/runs/1D_Cathode/mesh.msh @@ -2,111 +2,61 @@ $MeshFormat 2.2 0 8 $EndMeshFormat $Nodes -101 +51 1 0.001 0 0 -2 0.006 0 0 -3 0.001049999999999922 0 0 -4 0.001099999999999802 0 0 -5 0.001149999999999681 0 0 -6 0.001199999999999566 0 0 -7 0.001249999999999517 0 0 -8 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1 2 1 1 87 88 -89 1 2 1 1 88 89 -90 1 2 1 1 89 90 -91 1 2 1 1 90 91 -92 1 2 1 1 91 92 -93 1 2 1 1 92 93 -94 1 2 1 1 93 94 -95 1 2 1 1 94 95 -96 1 2 1 1 95 96 -97 1 2 1 1 96 97 -98 1 2 1 1 97 98 -99 1 2 1 1 98 99 -100 1 2 1 1 99 100 -101 1 2 1 1 100 101 -102 1 2 1 1 101 2 +52 1 2 1 1 51 2 $EndElements diff --git a/runs/ALPHIE_Grid/inputDiffTau.json b/runs/ALPHIE_Grid/inputDiffTau.json index a038f25..18f1ebe 100644 --- a/runs/ALPHIE_Grid/inputDiffTau.json +++ b/runs/ALPHIE_Grid/inputDiffTau.json @@ -2,7 +2,6 @@ "output": { "path": "./runs/ALPHIE_Grid/", "triggerOutput": 500, - "triggerCPUTime": 1, "cpuTime": true, "numColl": false, "EMField": true, @@ -15,7 +14,7 @@ }, "species": [ {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} ], "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ @@ -66,6 +65,7 @@ "tau": [1.0e-9, 1.0e-11], "time": 1.0e-6, "pusher": ["2DCylCharged", "2DCylCharged"], + "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, "parallel": { diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json index b91aed5..5c91d42 100644 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ b/runs/ALPHIE_Grid/inputSameTau.json @@ -2,7 +2,6 @@ "output": { "path": "./runs/ALPHIE_Grid/", "triggerOutput": 500, - "triggerCPUTime": 1, "cpuTime": true, "numColl": false, "EMField": true, @@ -15,7 +14,7 @@ }, "species": [ {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} ], "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ @@ -66,6 +65,7 @@ "tau": [1.0e-11, 1.0e-11], "time": 1.0e-6, "pusher": ["2DCylCharged", "2DCylCharged"], + "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, "parallel": { From 95d5a1200d389375fa1341cefd8df9f9e500700a Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Mar 2021 12:54:51 +0100 Subject: [PATCH 009/203] Included a new cases of 1D Cathode emission based on plasma background previously computed. --- runs/1D_Cathode/Argon+_Background.dat | 51 +++++++++++++++++++ runs/1D_Cathode/Electron_Background.dat | 51 +++++++++++++++++++ .../{inputRad.json => inputRadEmission.json} | 25 +++++---- runs/1D_Cathode/mesh.geo | 2 +- 4 files changed, 117 insertions(+), 12 deletions(-) create mode 100644 runs/1D_Cathode/Argon+_Background.dat create mode 100644 runs/1D_Cathode/Electron_Background.dat rename runs/1D_Cathode/{inputRad.json => inputRadEmission.json} (72%) diff --git a/runs/1D_Cathode/Argon+_Background.dat b/runs/1D_Cathode/Argon+_Background.dat new file mode 100644 index 0000000..b09138f --- /dev/null +++ b/runs/1D_Cathode/Argon+_Background.dat @@ -0,0 +1,51 @@ +#Element Density(m^-3) Velocity (m/2) Temperature (K) +1 1683217500000000 -19386.6 0 0 500 +2 1577004000000000 -19130.6 0 0 500 +3 1483725500000000 -18673.4 0 0 500 +4 1495368000000000 -18223.2 0 0 500 +5 1601330000000000 -17804.8 0 0 500 +6 1630851500000000 -17360.2 0 0 500 +7 1569924000000000 -16986.4 0 0 500 +8 1555674000000000 -16567.4 0 0 500 +9 1501328000000000 -16181.2 0 0 500 +10 1472318000000000 -15785.9 0 0 500 +11 1458490000000000 -15374.6 0 0 500 +12 1457809500000000 -15012.6 0 0 500 +13 1474687000000000 -14477.2 0 0 500 +14 1473073500000000 -14242.7 0 0 500 +15 1511770500000000 -13848.8 0 0 500 +16 1564946500000000 -13502.7 0 0 500 +17 1533674000000000 -13157.7 0 0 500 +18 1473108000000000 -12764.5 0 0 500 +19 1496640000000000 -12488.3 0 0 500 +20 1514440500000000 -12036.1 0 0 500 +21 1494114500000000 -11665.3 0 0 500 +22 1493046500000000 -11348.2 0 0 500 +23 1500858500000000 -10977.3 0 0 500 +24 1494480500000000 -10624.9 0 0 500 +25 1542839500000000 -11111.7 0 0 500 +26 1596599500000000 -9940.4 0 0 500 +27 1650272000000000 -9566.4 0 0 500 +28 1690817500000000 -9223.5 0 0 500 +29 1724662000000000 -8917.5 0 0 500 +30 1777677500000000 -8544.2 0 0 500 +31 1809272500000000 -8129.9 0 0 500 +32 1814150000000000 -7827.7 0 0 500 +33 1838401500000000 -7458.4 0 0 500 +34 1977935000000000 -7113.4 0 0 500 +35 2093814500000000 -6707.0 0 0 500 +36 2107688500000000 -6373.7 0 0 500 +37 2244944000000000 -6024.8 0 0 500 +38 2390213000000000 -5625.1 0 0 500 +39 2484013500000000 -5223.9 0 0 500 +40 2600636000000000 -4862.8 0 0 500 +41 2751150500000000 -4640.7 0 0 500 +42 2972491500000000 -4116.6 0 0 500 +43 3282084500000000 -3661.9 0 0 500 +44 3682392500000000 -3241.6 0 0 500 +45 4103775500000000 -2772.5 0 0 500 +46 4913489500000000 -2383.0 0 0 500 +47 6405310500000000 -1911.6 0 0 500 +48 9003078999999999 -1483.9 0 0 500 +49 1.3388345E+016 -993.4 0 0 500 +50 2.266645E+016 -592.5 0 0 500 diff --git a/runs/1D_Cathode/Electron_Background.dat b/runs/1D_Cathode/Electron_Background.dat new file mode 100644 index 0000000..e03cc49 --- /dev/null +++ b/runs/1D_Cathode/Electron_Background.dat @@ -0,0 +1,51 @@ +#Element Density(m^-3) Velocity (m/2) Temperature (K) +1 0 0 0 0 11604 +2 0 0 0 0 11604 +3 0 0 0 0 11604 +4 0 0 0 0 11604 +5 0 0 0 0 11604 +6 0 0 0 0 11604 +7 0 0 0 0 11604 +8 0 0 0 0 11604 +9 0 0 0 0 11604 +10 0 0 0 0 11604 +11 0 0 0 0 11604 +12 0 0 0 0 11604 +13 0 0 0 0 11604 +14 0 0 0 0 11604 +15 0 0 0 0 11604 +16 0 0 0 0 11604 +17 0 0 0 0 11604 +18 0 0 0 0 11604 +19 0 0 0 0 11604 +20 0 0 0 0 11604 +21 0 0 0 0 11604 +22 0 0 0 0 11604 +23 0 0 0 0 11604 +24 0 0 0 0 11604 +25 0 0 0 0 11604 +26 0 0 0 0 11604 +27 0 0 0 0 11604 +28 0 0 0 0 11604 +29 0 0 0 0 11604 +30 0 0 0 0 11604 +31 0 0 0 0 11604 +32 0 0 0 0 11604 +33 0 0 0 0 11604 +34 0 0 0 0 11604 +35 0 0 0 0 11604 +36 0 0 0 0 11604 +37 0 0 0 0 11604 +38 0 0 0 0 11604 +39 0 0 0 0 11604 +40 0 0 0 0 11604 +41 0 0 0 0 11604 +42 0 0 0 0 11604 +43 529256500000 32881.47 0 0 11604 +44 5035006500000 40868.50 0 0 11604 +45 37296800000000 5264.45 0 0 11604 +46 226267350000000 -12113.65 0 0 11604 +47 928316300000000 -15834.22 0 0 11604 +48 3119752000000000 -12139.49 0 0 11604 +49 7748062000000000 -8297.72 0 0 11604 +50 1.348286E+016 43.29 0 0 11604 diff --git a/runs/1D_Cathode/inputRad.json b/runs/1D_Cathode/inputRadEmission.json similarity index 72% rename from runs/1D_Cathode/inputRad.json rename to runs/1D_Cathode/inputRadEmission.json index 3e87739..ba3ce41 100644 --- a/runs/1D_Cathode/inputRad.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -6,12 +6,12 @@ "cpuTime": false, "numColl": false, "EMField": true, - "folder": "Radial" + "folder": "Radial_Emision" }, "reference": { "density": 1.0e16, "mass": 9.109e-31, - "temperature": 2500.0 + "temperature": 11604.0 }, "geometry": { "type": "1DRad", @@ -33,22 +33,25 @@ ]} ], "boundaryEM": [ - {"name": "Cathode", "type": "dirichlet", "potential": -10.0, "physicalSurface": 1}, - {"name": "Infinite", "type": "dirichlet", "potential": 0.0, "physicalSurface": 2} + {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-3, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.0e-6, "units": "A", "v": 500.0, "T": [500.0, 500.0, 500.0], + {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 300.0, "T": [ 500.0, 500.0, 500.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 1.0e-6, "units": "A", "v": 500.0, "T": [500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} + {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, + {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "case": { "tau": [1.0e-11, 1.0e-11], - "time": 1.0e-5, + "time": 4.0e-6, "pusher": ["1DRadCharged", "1DRadCharged"], - "EMSolver": "Electrostatic" + "EMSolver": "Electrostatic", + "initial": [ + {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, + {"speciesName": "Electron", "initialState": "Electron_Background.dat"} + ] }, "parallel": { "OpenMP":{ diff --git a/runs/1D_Cathode/mesh.geo b/runs/1D_Cathode/mesh.geo index 657bb89..3f96cbb 100644 --- a/runs/1D_Cathode/mesh.geo +++ b/runs/1D_Cathode/mesh.geo @@ -1,4 +1,4 @@ -Lcell = 0.00004; +Lcell = 4e-5; x0 = 0.001; xf = x0 + 50.0*Lcell; From ff0c09242dfff42ed2536577c12f37d3bcb075b9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Mar 2021 12:56:15 +0100 Subject: [PATCH 010/203] Fixed an issue with normal vector not being norm unit, which was causing reflected particle velocities to increase. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 1 + src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 1 + src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 2 ++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 1 + src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 1 + 5 files changed, 6 insertions(+) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 647d974..d45c7a0 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -145,6 +145,7 @@ MODULE moduleMesh1DCart self%x = r1(1) self%normal = (/ 1.D0, 0.D0, 0.D0 /) + self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 3f67f15..1d2bdba 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -146,6 +146,7 @@ MODULE moduleMesh1DRad self%r = r1(1) self%normal = (/ 1.D0, 0.D0, 0.D0 /) + self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index cc2369a..ac22b28 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -193,6 +193,8 @@ MODULE moduleMesh2DCart self%normal = (/ self%y(2)-self%y(1), & self%x(2)-self%x(1), & 0.D0 /) + self%normal = self%normal/NORM2(self%normal) + !Boundary index self%boundary => boundary(bt) ALLOCATE(self%fboundary(1:nSpecies)) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 9303c1b..8ef5c6d 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -194,6 +194,7 @@ MODULE moduleMesh2DCyl self%normal = (/ self%r(2)-self%r(1), & self%z(2)-self%z(1), & 0.D0 /) + self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) ALLOCATE(self%fboundary(1:nSpecies)) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index d01e820..1c713c9 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -159,6 +159,7 @@ MODULE moduleMesh3DCart self%normal = (/ (self%y(2)-self%y(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)), & (self%x(2)-self%x(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%x(3)-self%x(1)), & (self%x(2)-self%x(1))*(self%y(3)-self%y(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)) /) + self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) From 7e5b78f72f969797a29faa1a3b36ff0b5664a1df Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Mar 2021 16:25:30 +0100 Subject: [PATCH 011/203] Implementation of 3D cartesian coordinates completed. Last commit before testing. --- src/makefile | 1 + .../mesh/3DCart/moduleMesh3DCartRead.f90 | 157 +++++++++++++++++- src/modules/moduleInput.f90 | 5 + src/modules/moduleSolver.f90 | 62 +++++++ 4 files changed, 223 insertions(+), 2 deletions(-) diff --git a/src/makefile b/src/makefile index e3801fd..7bb277a 100644 --- a/src/makefile +++ b/src/makefile @@ -4,6 +4,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o \ + $(OBJDIR)/moduleMesh3DCart.o $(OBJDIR)/moduleMesh3DCartRead.o \ $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o \ $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o \ $(OBJDIR)/moduleMesh1DCart.o $(OBJDIR)/moduleMesh1DCartRead.o \ diff --git a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 index a2197a4..40f81d0 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 @@ -9,10 +9,10 @@ MODULE moduleMesh3DCartRead END TYPE - INTERFACE connect + INTERFACE connected MODULE PROCEDURE connectedVolVol, connectedVolEdge - END INTERFACE connect + END INTERFACE connected CONTAINS !Init mesh @@ -388,6 +388,7 @@ MODULE moduleMesh3DCartRead END IF END IF + !Check surface 4 IF (.NOT. ASSOCIATED(elemA%e3)) THEN IF ((elemA%n1%n == elemB%n1%n .AND. & @@ -454,6 +455,134 @@ MODULE moduleMesh3DCartRead CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB + !Check surface 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n)) THEN + + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) .OR. & + (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n)) THEN + + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check surface 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) .OR. & + (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n)) THEN + + elemA%e2 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check surface 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF ((elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) .OR. & + (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n)) THEN + + elemA%e3 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check surface 4 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF ((elemA%n1%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n3%n) .OR. & + (elemA%n1%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n1%n)) THEN + + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) .OR. & + (elemA%n1%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) .OR. & + (elemA%n1%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n)) THEN + + elemA%e4 => elemB + elemB%e2 => elemA + + END IF + + END IF + END SUBROUTINE connectedTetraEdge SUBROUTINE constructGlobalK(K, elem) @@ -465,6 +594,30 @@ MODULE moduleMesh3DCartRead INTEGER:: nNodes, i, j INTEGER, ALLOCATABLE:: n(:) + SELECT TYPE(elem) + TYPE IS(meshVol3DCartTetra) + nNodes = 4 + ALLOCATE(localK(1:nNodes,1:nNodes)) + localK = elem%elemK() + ALLOCATE(n(1:nNodes)) + n = (/ elem%n1%n, elem%n2%n, & + elem%n3%n, elem%n4%n /) + + CLASS DEFAULT + nNodes = 0 + ALLOCATE(localK(1:1, 1:1)) + localK = 0.D0 + ALLOCATE(n(1:1)) + n = 0 + + END SELECT + + DO i = 1, nNodes + DO j = 1, nNodes + K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) + END DO + END DO + END SUBROUTINE constructGlobalK END MODULE moduleMesh3DCartRead diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 13d43e3..30fbc57 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -653,6 +653,7 @@ MODULE moduleInput !Read the geometry (mesh) for the case SUBROUTINE readGeometry(config) USE moduleMesh + USE moduleMesh3DCartRead, ONLY: mesh3DCartGeneric USE moduleMesh2DCylRead, ONLY: mesh2DCylGeneric USE moduleMesh2DCartRead, ONLY: mesh2DCartGeneric USE moduleMesh1DCartRead, ONLY: mesh1DCartGeneric @@ -670,6 +671,10 @@ MODULE moduleInput !Selects the type of geometry. CALL config%get('geometry.type', geometryType, found) SELECT CASE(geometryType) + CASE ("3DCart") + !Creates a 3D cylindrical mesh + ALLOCATE(mesh3DCartGeneric:: mesh) + CASE ("2DCyl") !Creates a 2D cylindrical mesh ALLOCATE(mesh2DCylGeneric:: mesh) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4b0124e..d6b10a5 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -162,6 +162,68 @@ MODULE moduleSolver END SUBROUTINE doPushes + !Push neutral particles in 3D cartesian coordinates + PURE SUBROUTINE push3DCartNeutral(part, tauIn) + USE moduleSPecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + + part_temp = part + + !x + part_temp%v(1) = part%v(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + + !y + part_temp%v(2) = part%v(2) + part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + + !z + part_temp%v(3) = part%v(3) + part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn + + part_temp%n_in = .FALSE. + + part = part_temp + + END SUBROUTINE push3DCartNeutral + + !Push charged particles in 3D cartesian coordinates + PURE SUBROUTINE push3DCartCharged(part, tauIn) + USE moduleSPecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + REAL(8):: qmEFt(1:3) + + part_temp = part + !Get the electric field at particle position + qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + + !x + part_temp%v(1) = part%v(1) + qmEFt(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + + !y + part_temp%v(2) = part%v(2) + qmEFt(2) + part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + + !z + part_temp%v(3) = part%v(3) + qmEFt(3) + part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn + + part_temp%n_in = .FALSE. + + part = part_temp + + END SUBROUTINE push3DCartCharged + !Push one particle. Boris pusher for 2D Cyl Neutral particle PURE SUBROUTINE push2DCylNeutral(part, tauIn) USE moduleSpecies From c236c5e0e26dcd4ab3046527969ca84ddaf7bf00 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 15 Mar 2021 10:00:34 +0100 Subject: [PATCH 012/203] Fixing some issues in 3D Cartesian coordinates. Included 3D pusher. Still there are issues linking a volume to an edge. --- .../mesh/1DCart/moduleMesh1DCartRead.f90 | 3 + .../mesh/1DRad/moduleMesh1DRadRead.f90 | 3 + .../mesh/2DCart/moduleMesh2DCartRead.f90 | 21 ++ .../mesh/2DCyl/moduleMesh2DCylRead.f90 | 18 ++ src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 2 +- .../mesh/3DCart/moduleMesh3DCartRead.f90 | 208 ++++++------------ src/modules/moduleInject.f90 | 9 +- src/modules/moduleSolver.f90 | 7 + 8 files changed, 123 insertions(+), 148 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 b/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 index 720e61d..d69cfdc 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 @@ -217,6 +217,9 @@ MODULE moduleMesh1DCartRead elemA%e1 => elemB elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF diff --git a/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 b/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 index 1a9f25c..4f14b5f 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 @@ -218,6 +218,9 @@ MODULE moduleMesh1DRadRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + END IF IF (.NOT. ASSOCIATED(elemA%e2) .AND. & diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 index b91627a..b0f2ee3 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 @@ -439,6 +439,9 @@ MODULE moduleMesh2DCartRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB @@ -455,6 +458,9 @@ MODULE moduleMesh2DCartRead elemA%e2 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB @@ -471,6 +477,9 @@ MODULE moduleMesh2DCartRead elemA%e3 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n4%n == elemB%n1%n) THEN elemA%e3 => elemB @@ -487,6 +496,9 @@ MODULE moduleMesh2DCartRead elemA%e4 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e4 => elemB @@ -511,6 +523,9 @@ MODULE moduleMesh2DCartRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB @@ -527,6 +542,9 @@ MODULE moduleMesh2DCartRead elemA%e2 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB @@ -543,6 +561,9 @@ MODULE moduleMesh2DCartRead elemA%e3 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e3 => elemB diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 index 085c3c3..379a0fb 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 @@ -439,6 +439,9 @@ MODULE moduleMesh2DCylRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB @@ -455,6 +458,9 @@ MODULE moduleMesh2DCylRead elemA%e2 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB @@ -471,6 +477,9 @@ MODULE moduleMesh2DCylRead elemA%e3 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n4%n == elemB%n1%n) THEN elemA%e3 => elemB @@ -511,6 +520,9 @@ MODULE moduleMesh2DCylRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB @@ -527,6 +539,9 @@ MODULE moduleMesh2DCylRead elemA%e2 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB @@ -543,6 +558,9 @@ MODULE moduleMesh2DCylRead elemA%e3 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e3 => elemB diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 1c713c9..0464c7f 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -146,7 +146,7 @@ MODULE moduleMesh3DCart self%n = n self%n1 => mesh%nodes(p(1))%obj - self%n3 => mesh%nodes(p(2))%obj + self%n2 => mesh%nodes(p(2))%obj self%n3 => mesh%nodes(p(3))%obj !Get element coordinates r1 = self%n1%getCoordinates() diff --git a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 index 40f81d0..c6b021a 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 @@ -207,6 +207,28 @@ MODULE moduleMesh3DCartRead END SUBROUTINE connectedVolEdge + PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) + IMPLICIT NONE + + INTEGER, DIMENSION(1:3), INTENT(in):: nodesA, nodesB + LOGICAL:: coincident + INTEGER:: i + + coincident = .FALSE. + DO i = 1, 3 + IF (ANY(nodesA(i) == nodesB)) THEN + coincident = .TRUE. + + ELSE + coincident = .FALSE. + EXIT + + END IF + + END DO + + END FUNCTION coincidentNodes + SUBROUTINE connectedTetraTetra(elemA, elemB) IMPLICIT NONE @@ -217,54 +239,26 @@ MODULE moduleMesh3DCartRead !Check surface 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e1 => elemB elemB%e1 => elemA - ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n2%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e1 => elemB elemB%e2 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e1 => elemB elemB%e3 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e1 => elemB elemB%e4 => elemA @@ -275,54 +269,26 @@ MODULE moduleMesh3DCartRead !Check surface 2 IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e2 => elemB elemB%e1 => elemA - ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n2%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e2 => elemB elemB%e2 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e2 => elemB elemB%e3 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e2 => elemB elemB%e4 => elemA @@ -333,54 +299,26 @@ MODULE moduleMesh3DCartRead !Check surface 3 IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF ((elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e3 => elemB elemB%e1 => elemA - ELSEIF ((elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n2%n)) THEN + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e3 => elemB elemB%e2 => elemA - ELSEIF ((elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e3 => elemB elemB%e3 => elemA - ELSEIF ((elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n2%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e3 => elemB elemB%e4 => elemA @@ -391,54 +329,26 @@ MODULE moduleMesh3DCartRead !Check surface 4 IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e4 => elemB elemB%e1 => elemA - ELSEIF ((elemA%n1%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n2%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e4 => elemB elemB%e2 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e4 => elemB elemB%e3 => elemA - ELSEIF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n4%n) .OR. & - (elemA%n1%n == elemB%n4%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n4%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e4 => elemB elemB%e4 => elemA @@ -483,8 +393,12 @@ MODULE moduleMesh3DCartRead elemA%e1 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + END IF + END IF !Check surface 2 @@ -515,6 +429,9 @@ MODULE moduleMesh3DCartRead elemA%e2 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + END IF END IF @@ -547,6 +464,9 @@ MODULE moduleMesh3DCartRead elemA%e3 => elemB elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + END IF END IF diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9a02cb1..e614cdf 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -230,12 +230,15 @@ MODULE moduleInject !Random position in edge partInj(n)%r = randomEdge%randPos() !Volume associated to the edge: - IF (DOT_PRODUCT(self%n, randomEdge%normal) >= 0.D0) THEN + IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%vol = randomEdge%e1%n - - ELSE + + ELSEIF (ASSOCIATED(randomEdge%e2)) THEN partInj(n)%vol = randomEdge%e2%n + ELSE + PRINT *, "ERROR NO VOL ASSOCIATED TO EDGE" + END IF partInj(n)%v = (/ self%v(1)%obj%randomVel(), & diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index d6b10a5..c76b6c9 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -67,6 +67,13 @@ MODULE moduleSolver REAL(8):: tau, tauSp SELECT CASE(pusherType) + !3D Cartesian + CASE('3DCartNeutral') + self%pushParticle => push3DCartNeutral + + CASE('3DCartCharged') + self%pushParticle => push3DCartCharged + !2D Cylindrical CASE('2DCylNeutral') self%pushParticle => push2DCylNeutral From 8cf50cda68c1cbd49cf19c597d4b27ba975b6b7c Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 20 Mar 2021 13:08:01 +0100 Subject: [PATCH 013/203] First implementation of ionization boundary. Still some work to do. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 62 +++++----- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 18 +-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 18 +-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 25 +--- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 18 +-- src/modules/mesh/moduleMeshBoundary.f90 | 113 +++++++++++++++++++ src/modules/moduleBoundary.f90 | 45 +++++++- src/modules/moduleInject.f90 | 4 + src/modules/moduleInput.f90 | 26 +++++ src/modules/moduleList.f90 | 2 + src/modules/moduleSolver.f90 | 21 +++- 11 files changed, 247 insertions(+), 105 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index d45c7a0..366fa84 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -7,6 +7,9 @@ MODULE moduleMesh1DCart USE moduleMeshBoundary IMPLICIT NONE + REAL(8), PARAMETER:: corSeg(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) + REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DCart !Element coordinates REAL(8):: x = 0.D0 @@ -152,23 +155,7 @@ MODULE moduleMesh1DCart ALLOCATE(self%fboundary(1:nSpecies)) !Assign functions to boundary DO s = 1, nSpecies - SELECT TYPE(obj => self%boundary%bTypes(s)%obj) - TYPE IS(boundaryAbsorption) - self%fBoundary(s)%apply => absorption - - TYPE IS(boundaryReflection) - self%fBoundary(s)%apply => reflection - - TYPE IS(boundaryTransparent) - self%fBoundary(s)%apply => transparent - - TYPE IS(boundaryWallTemperature) - self%fBoundary(s)%apply => wallTemperature - - CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdge1DCart') - - END SELECT + CALL pointBoundaryFunction(self, s) END DO @@ -322,22 +309,29 @@ MODULE moduleMesh1DCart END SUBROUTINE partialDerSegm !Computes local stiffness matrix - PURE FUNCTION elemKSegm(self) RESULT(ke) + FUNCTION elemKSegm(self) RESULT(ke) IMPLICIT NONE CLASS(meshVol1DCartSegm), INTENT(in):: self REAL(8):: ke(1:2,1:2) REAL(8):: Xii(1:3) REAL(8):: dPsi(1:1, 1:2) - REAL(8):: invJ + REAL(8):: invJ(1), detJ + INTEGER:: l ke = 0.D0 - Xii = (/ 0.D0, 0.D0, 0.D0 /) - dPsi = self%dPsi(Xii) - invJ = self%invJac(Xii, dPsi) - ke(1,:) = (/ dPsi(1,1)*dPsi(1,1), dPsi(1,1)*dPsi(1,2) /) - ke(2,:) = (/ dPsi(1,2)*dPsi(1,1), dPsi(1,2)*dPsi(1,2) /) - ke = 2.D0*ke*invJ + Xii = 0.D0 + + DO l = 1, 3 + xii(1) = corSeg(l) + dPsi = self%dPsi(Xii) + detJ = self%detJac(Xii, dPsi) + invJ = self%invJac(Xii, dPsi) + ke = ke + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + wSeg(l)/detJ + + END DO END FUNCTION elemKSegm @@ -348,14 +342,22 @@ MODULE moduleMesh1DCart REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:2) - REAL(8):: detJ + REAL(8):: detJ, f REAL(8):: Xii(1:3) + INTEGER:: l - Xii = 0.D0 - fPsi = self%fPsi(Xii) - detJ = self%detJac(Xii) ALLOCATE(localF(1:2)) - localF = 2.D0*DOT_PRODUCT(fPsi, source)*detJ + localF = 0.D0 + Xii = 0.D0 + + DO l = 1, 3 + xii(1) = corSeg(l) + detJ = self%detJac(Xii) + fPsi = self%fPsi(Xii) + f = DOT_PRODUCT(fPsi, source) + localF = localF + f*fPsi*wSeg(l)*detJ + + END DO END FUNCTION elemFSegm diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 1d2bdba..d0f8311 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -153,23 +153,7 @@ MODULE moduleMesh1DRad ALLOCATE(self%fboundary(1:nSpecies)) !Assign functions to boundary DO s = 1, nSpecies - SELECT TYPE(obj => self%boundary%bTypes(s)%obj) - TYPE IS(boundaryAbsorption) - self%fBoundary(s)%apply => absorption - - TYPE IS(boundaryReflection) - self%fBoundary(s)%apply => reflection - - TYPE IS(boundaryTransparent) - self%fBoundary(s)%apply => transparent - - TYPE IS(boundaryWallTemperature) - self%fBoundary(s)%apply => wallTemperature - - CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdge1DRad') - - END SELECT + CALL pointBoundaryFunction(self, s) END DO diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index ac22b28..40c218c 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -200,23 +200,7 @@ MODULE moduleMesh2DCart ALLOCATE(self%fboundary(1:nSpecies)) !Assign functions to boundary DO s = 1, nSpecies - SELECT TYPE(obj => self%boundary%bTypes(s)%obj) - TYPE IS(boundaryAbsorption) - self%fBoundary(s)%apply => absorption - - TYPE IS(boundaryReflection) - self%fBoundary(s)%apply => reflection - - TYPE IS(boundaryTransparent) - self%fBoundary(s)%apply => transparent - - TYPE IS(boundaryWallTemperature) - self%fBoundary(s)%apply => wallTemperature - - CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdge2DCart') - - END SELECT + CALL pointBoundaryFunction(self, s) END DO diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 8ef5c6d..e0f3a27 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -200,26 +200,7 @@ MODULE moduleMesh2DCyl ALLOCATE(self%fboundary(1:nSpecies)) !Assign functions to boundary DO s = 1, nSpecies - SELECT TYPE(obj => self%boundary%bTypes(s)%obj) - TYPE IS(boundaryAbsorption) - self%fBoundary(s)%apply => absorption - - TYPE IS(boundaryReflection) - self%fBoundary(s)%apply => reflection - - TYPE IS(boundaryTransparent) - self%fBoundary(s)%apply => transparent - - TYPE IS(boundaryWallTemperature) - self%fBoundary(s)%apply => wallTemperature - - TYPE IS(boundaryAxis) - self%fBoundary(s)%apply => symmetryAxis - - CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdge2DCyl') - - END SELECT + CALL pointBoundaryFunction(self, s) END DO @@ -459,7 +440,9 @@ MODULE moduleMesh2DCyl detJ = self%detJac(xi,dPsi) invJ = self%invJac(xi,dPsi) r = DOT_PRODUCT(fPsi,self%r) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wQuad(l)*wQuad(m)/detJ + ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & + r*wQuad(l)*wQuad(m)/detJ END DO END DO diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 1c713c9..e1b8907 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -166,23 +166,7 @@ MODULE moduleMesh3DCart ALLOCATE(self%fBoundary(1:nSpecies)) !Assign functions to boundary DO s = 1, nSpecies - SELECT TYPE(obj => self%boundary%bTypes(s)%obj) - TYPE IS(boundaryAbsorption) - self%fBoundary(s)%apply => absorption - - TYPE IS(boundaryReflection) - self%fBoundary(s)%apply => reflection - - TYPE IS(boundaryTransparent) - self%fBoundary(s)%apply => transparent - - TYPE IS(boundaryWallTemperature) - self%fBoundary(s)%apply => wallTemperature - - CLASS DEFAULT - CALL criticalError("Boundary type not defined in this geometry", 'initEdge3DCart') - - END SELECT + CALL pointBoundaryFunction(self, s) END DO diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 97602f4..2252b84 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -108,6 +108,85 @@ MODULE moduleMeshBoundary END SUBROUTINE wallTemperature + !Ionization surface: an electron will pass through the surface + ! and create an ion-electron pair based on a neutral background + SUBROUTINE ionization(edge, part) + USE moduleList + USE moduleSpecies + USE moduleMesh + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass + REAL(8):: ionizationRate + INTEGER:: ionizationPair, p + TYPE(particle), POINTER:: newElectron + TYPE(particle), POINTER:: newIon + + SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) + TYPE IS(boundaryIonization) + mRel = (bound%m0*species(part%sp)%obj%m)*(bound%m0+species(part%sp)%obj%m) + vRel = SUM(DABS(part%v-bound%v0)) + eRel = mRel*vRel**2*5.D-1 + + IF (eRel > bound%eThreshold) THEN + !TODO: Check units + ionizationRate = bound%n0*bound%crossSection%get(eRel) + + ionizationPair = INT(ionizationRate*tauMin*ti_ref/species(bound%sp)%obj%weight) + + !Create the new pair of particles + DO p = 1, ionizationPair + ALLOCATE(newElectron) + ALLOCATE(newIon) + + newElectron%sp = part%sp + newIon%sp = bound%sp + + newElectron%v = 10.D0*bound%v0 + (1.D0 + bound%deltaV/NORM2(bound%v0)) + newIon%v = bound%v0 + + newElectron%r = edge%randPos() + newIon%r = newElectron%r + + newElectron%vol = part%vol + newIon%vol = part%vol + + newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) + newIon%xi = newElectron%xi + + newElectron%qm = part%qm + SELECT TYPE(spe => species(bound%sp)%obj) + TYPE IS(speciesCharged) + newIon%qm = spe%qm + + END SELECT + + newElectron%weight = species(bound%sp)%obj%weight + newIon%weight = newElectron%weight + + newElectron%n_in = .TRUE. + newIon%n_in = .TRUE. + + !Add particles to list + CALL OMP_SET_LOCK(lockSurfaces) + CALL partSurfaces%add(newElectron) + CALL partSurfaces%add(newIon) + CALL OMP_UNSET_LOCK(lockSurfaces) + + END DO + + !Removes ionizing electron + part%n_in = .FALSE. + + END IF + + END SELECT + + END SUBROUTINE ionization + !Symmetry axis. Dummy function SUBROUTINE symmetryAxis(edge, part) USE moduleSpecies @@ -118,4 +197,38 @@ MODULE moduleMeshBoundary END SUBROUTINE symmetryAxis + !Points the boundary function to specific type + SUBROUTINE pointBoundaryFunction(edge, s) + USE moduleErrors + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + INTEGER, INTENT(in):: s !Species index + + SELECT TYPE(obj => edge%boundary%bTypes(s)%obj) + TYPE IS(boundaryAbsorption) + edge%fBoundary(s)%apply => absorption + + TYPE IS(boundaryReflection) + edge%fBoundary(s)%apply => reflection + + TYPE IS(boundaryTransparent) + edge%fBoundary(s)%apply => transparent + + TYPE IS(boundaryWallTemperature) + edge%fBoundary(s)%apply => wallTemperature + + TYPE IS(boundaryIonization) + edge%fBoundary(s)%apply => ionization + + TYPE IS(boundaryAxis) + edge%fBoundary(s)%apply => symmetryAxis + + CLASS DEFAULT + CALL criticalError("Boundary type not defined in this geometry", 'pointBoundaryFunction') + + END SELECT + + END SUBROUTINE pointBoundaryFunction + END MODULE moduleMeshBoundary diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 0f54ee9..66a98df 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -1,4 +1,5 @@ MODULE moduleBoundary + USE moduleTable !Generic type for boundaries TYPE, PUBLIC:: boundaryGeneric @@ -24,7 +25,7 @@ MODULE moduleBoundary END TYPE boundaryTransparent - !Transparent boundary + !Wall Temperature boundary TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryWallTemperature !Thermal velocity of the wall: square root(Wall temperature X specific heat) REAL(8):: vTh @@ -32,6 +33,18 @@ MODULE moduleBoundary END TYPE boundaryWallTemperature + !Ionization boundary + TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryIonization + REAL(8):: m0, n0, v0(1:3), T0 !Properties of background neutrals. + INTEGER:: sp !Ion species + TYPE(table1D):: crossSection + REAL(8):: eThreshold + REAL(8):: deltaV + + CONTAINS + + END TYPE boundaryIonization + !Symmetry axis TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryAxis CONTAINS @@ -86,4 +99,34 @@ MODULE moduleBoundary END SUBROUTINE initWallTemperature + SUBROUTINE initIonization(boundary, m0, n0, v0, T0, speciesID, crossSection, eThreshold) + USE moduleRefParam + USE moduleSpecies + USE moduleCaseParam + USE moduleConstParam + IMPLICIT NONE + + CLASS(boundaryGeneric), ALLOCATABLE, INTENT(out):: boundary + REAL(8), INTENT(in):: m0, n0, v0(1:3), T0 + INTEGER:: speciesID + CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSection + REAL(8), INTENT(in):: eThreshold + + ALLOCATE(boundaryIonization:: boundary) + + SELECT TYPE(boundary) + TYPE IS(boundaryIonization) + boundary%m0 = m0 / m_ref + boundary%n0 = n0 + boundary%v0 = v0 / v_ref + boundary%T0 = T0 / T_ref + boundary%sp = speciesID + CALL boundary%crossSection%init(crossSection) + CALL boundary%crossSection%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) + boundary%eThreshold = eThreshold*eV2J/(m_ref*v_ref**2) + + END SELECT + + END SUBROUTINE initIonization + END MODULE moduleBoundary diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9a02cb1..becf0a6 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -98,6 +98,10 @@ MODULE moduleInject !Input current in Ampers self%nParticles = INT(flow*tauMin*ti_ref/(qe*species(sp)%obj%weight)) + CASE ("part/s") + !Input current in Ampers + self%nParticles = INT(flow*tauMin*ti_ref/species(sp)%obj%weight) + CASE DEFAULT CALL criticalError("No support for units: " // units, 'initInject') diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 13d43e3..897ddb2 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -599,6 +599,13 @@ MODULE moduleInput CHARACTER(2):: istring, sString CHARACTER(:), ALLOCATABLE:: object, bType REAL(8):: Tw, cw !Wall temperature and specific heat + !Neutral Properties + REAL(8):: m0, n0 + REAL(8), DIMENSION(:), ALLOCATABLE:: v0 + REAL(8):: T0 + REAL(8):: eThreshold !Energy threshold + INTEGER:: speciesID + CHARACTER(:), ALLOCATABLE:: speciesName, crossSection LOGICAL:: found INTEGER:: nTypes @@ -628,6 +635,25 @@ MODULE moduleInput CASE('transparent') ALLOCATE(boundaryTransparent:: boundary(i)%bTypes(s)%obj) + CASE('ionization') + CALL config%get(object // '.neutral.name', speciesName, found) + IF (.NOT. found) CALL criticalError("missing parameter 'name' for neutrals in ionization", 'readBoundary') + speciesID = speciesName2Index(speciesName) + CALL config%get(object // '.neutral.mass', m0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'mass' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.neutral.density', n0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'density' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.neutral.velocity', v0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'velocity' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.neutral.temperature', T0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'temperature' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.energyThreshold', eThreshold, found) + IF (.NOT. found) CALL criticalError("missing parameter 'eThreshold' in ionization", 'readBoundary') + CALL config%get(object // '.crossSection', crossSection, found) + IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') + + CALL initIonization(boundary(i)%bTypes(s)%obj, m0, n0, v0, T0, speciesID, crossSection, eThreshold) + CASE('wallTemperature') CALL config%get(object // '.temperature', Tw, found) IF (.NOT. found) CALL criticalError("temperature not found for wallTemperature boundary type", 'readBoundary') diff --git a/src/modules/moduleList.f90 b/src/modules/moduleList.f90 index 15c4b23..c08061a 100644 --- a/src/modules/moduleList.f90 +++ b/src/modules/moduleList.f90 @@ -24,6 +24,8 @@ MODULE moduleList INTEGER(KIND=OMP_LOCK_KIND):: lockWScheme !Lock for the NA list of particles TYPE(listNode):: partCollisions !Particles created in collisional process INTEGER(KIND=OMP_LOCK_KIND):: lockCollisions !Lock for the NA list of particles + TYPE(listNode):: partSurfaces !Particles created in surface interactions + INTEGER(KIND=OMP_LOCK_KIND):: lockSurfaces !Lock for the NA list of particles TYPE(listNode):: partInitial !Initial distribution of particles TYPE pointerArray diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4b0124e..d75f073 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -437,7 +437,7 @@ MODULE moduleSolver INTEGER:: nn, n, e INTEGER, SAVE:: nPartNew - INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions + INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions, nSurfaces TYPE(particle), ALLOCATABLE, SAVE:: partTemp(:) TYPE(lNode), POINTER:: partCurr, partNext @@ -458,13 +458,15 @@ MODULE moduleSolver nWScheme = partWScheme%amount !$OMP SECTION nCollisions = partCollisions%amount + !$OMP SECTION + nSurfaces = partSurfaces%amount !$OMP END SECTIONS !$OMP BARRIER !$OMP SINGLE CALL MOVE_ALLOC(partOld, partTemp) - nPartNew = nInjIn + nOldIn + nWScheme + nCollisions + nPartNew = nInjIn + nOldIn + nWScheme + nCollisions + nSurfaces ALLOCATE(partOld(1:nPartNew)) !$OMP END SINGLE @@ -522,6 +524,21 @@ MODULE moduleSolver IF (ASSOCIATED(partCollisions%tail)) NULLIFY(partCollisions%tail) partCollisions%amount = 0 + !$OMP SECTION + !Reset particles from surface process + nn = nInjIn + nOldIn + nWScheme + nCollisions + partCurr => partSurfaces%head + DO n = 1, nSurfaces + partNext => partCurr%next + partOld(nn+n) = partCurr%part + DEALLOCATE(partCurr) + partCurr => partNext + + END DO + IF (ASSOCIATED(partSurfaces%head)) NULLIFY(partSurfaces%head) + IF (ASSOCIATED(partSurfaces%tail)) NULLIFY(partSurfaces%tail) + partSurfaces%amount = 0 + !$OMP SECTION !Reset output in nodes DO e = 1, mesh%numNodes From db6b0a2c03128352af55a0abf9b102304a57125d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 22 Mar 2021 12:39:34 +0100 Subject: [PATCH 014/203] Fixed an issue with reflection of particles in all geometries and also assigning the normal vector in 2D and 3D. 3D Cartesian geometry is working properly, although it needs testing. Still issue with ionization boundary. --- src/makefile | 2 +- src/modules/makefile | 6 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 7 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 56 +++-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 25 ++- .../mesh/2DCart/moduleMesh2DCartRead.f90 | 70 +++--- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 26 ++- .../mesh/2DCyl/moduleMesh2DCylRead.f90 | 90 +++++--- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 41 ++-- .../mesh/3DCart/moduleMesh3DCartRead.f90 | 211 +++++++++--------- src/modules/mesh/moduleMesh.f90 | 4 +- src/modules/mesh/moduleMeshBoundary.f90 | 20 +- src/modules/moduleInject.f90 | 3 +- src/modules/moduleMath.f90 | 42 ++++ src/modules/moduleOutput.f90 | 11 +- 15 files changed, 349 insertions(+), 265 deletions(-) create mode 100644 src/modules/moduleMath.f90 diff --git a/src/makefile b/src/makefile index 7bb277a..b398134 100644 --- a/src/makefile +++ b/src/makefile @@ -3,7 +3,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleErrors.o $(OBJDIR)/moduleList.o $(OBJDIR)/moduleOutput.o \ $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ - $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o \ + $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ $(OBJDIR)/moduleMesh3DCart.o $(OBJDIR)/moduleMesh3DCartRead.o \ $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o \ $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o \ diff --git a/src/modules/makefile b/src/modules/makefile index 28fc4ec..cea6d73 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -2,11 +2,11 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ moduleOutput.o moduleInput.o moduleSolver.o \ moduleCollisions.o moduleTable.o moduleParallel.o \ - moduleEM.o moduleRandom.o + moduleEM.o moduleRandom.o moduleMath.o all: $(OBJS) mesh.o -mesh.o: moduleCollisions.o moduleBoundary.o +mesh.o: moduleCollisions.o moduleBoundary.o moduleMath.o $(MAKE) -C mesh all moduleCollisions.o: moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 @@ -21,7 +21,7 @@ moduleInject.o: moduleRandom.o moduleSpecies.o moduleSolver.o moduleInject.f90 moduleList.o: moduleSpecies.o moduleErrors.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleOutput.o: moduleSpecies.o moduleRefParam.o moduleOutput.f90 +moduleOutput.o: moduleMath.o moduleSpecies.o moduleRefParam.o moduleOutput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleRandom.o: moduleConstParam.o moduleRandom.f90 diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 366fa84..020b971 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -148,7 +148,6 @@ MODULE moduleMesh1DCart self%x = r1(1) self%normal = (/ 1.D0, 0.D0, 0.D0 /) - self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) @@ -176,11 +175,11 @@ MODULE moduleMesh1DCart END FUNCTION getNodes1DCart - PURE FUNCTION intersection1DCart(self, r0, v0) RESULT(r) + PURE FUNCTION intersection1DCart(self, r0) RESULT(r) IMPLICIT NONE CLASS(meshEdge1DCart), INTENT(in):: self - REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3), INTENT(in):: r0 REAL(8), DIMENSION(1:3):: r r = (/ self%x, 0.D0, 0.D0 /) @@ -383,7 +382,7 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm SUBROUTINE scatterSegm(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d0f8311..08609cd 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -7,6 +7,9 @@ MODULE moduleMesh1DRad USE moduleMeshBoundary IMPLICIT NONE + REAL(8), PARAMETER:: corSeg(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) + REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DRad !Element coordinates REAL(8):: r = 0.D0 @@ -174,11 +177,11 @@ MODULE moduleMesh1DRad END FUNCTION getNodes1DRad - PURE FUNCTION intersection1DRad(self, r0, v0) RESULT(r) + PURE FUNCTION intersection1DRad(self, r0) RESULT(r) IMPLICIT NONE CLASS(meshEdge1DRad), INTENT(in):: self - REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3), INTENT(in):: r0 REAL(8), DIMENSION(1:3):: r r = (/ self%r, 0.D0, 0.D0 /) @@ -317,19 +320,26 @@ MODULE moduleMesh1DRad REAL(8):: ke(1:2,1:2) REAL(8):: Xii(1:3) REAL(8):: dPsi(1:1, 1:2) - REAL(8):: invJ + REAL(8):: invJ(1), detJ REAL(8):: r, fPsi(1:2) + INTEGER:: l ke = 0.D0 Xii = 0.D0 - dPsi = self%dPsi(Xii) - invJ = self%invJac(Xii, dPsi) - fPsi = self%fPsi(Xii) - r = DOT_PRODUCT(fPsi, self%r) - ke(1,:) = (/ dPsi(1,1)*dPsi(1,1), dPsi(1,1)*dPsi(1,2) /) - ke(2,:) = (/ dPsi(1,2)*dPsi(1,1), dPsi(1,2)*dPsi(1,2) /) - ke = 2.D0*ke*invJ - ke = ke*r*PI2 + DO l = 1, 3 + xii(1) = corSeg(l) + dPsi = self%dPsi(Xii) + detJ = self%detJac(Xii, dPsi) + invJ = self%invJac(Xii, dPsi) + fPsi = self%fPsi(Xii) + r = DOT_PRODUCT(fPsi, self%r) + ke = ke + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + r*wSeg(l)/detJ + + END DO + + ke = ke*PI2 END FUNCTION elemKRad @@ -341,17 +351,23 @@ MODULE moduleMesh1DRad REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:2) - REAL(8):: r - REAL(8):: detJ + REAL(8):: detJ, f, r REAL(8):: Xii(1:3) + INTEGER:: l - Xii = 0.D0 - fPsi = self%fPsi(Xii) - detJ = self%detJac(Xii) - r = DOT_PRODUCT(fPsi,self%r) ALLOCATE(localF(1:2)) - localF = 2.D0*DOT_PRODUCT(fPsi, source)*detJ - localF = localF*r*PI2 + localF = 0.D0 + Xii = 0.D0 + + DO l = 1, 3 + xii(1) = corSeg(l) + detJ = self%detJac(Xii) + fPsi = self%fPsi(Xii) + r = DOT_PRODUCT(fPsi, self%r) + f = DOT_PRODUCT(fPsi, source) + localF = localF + f*fPsi*r*wSeg(l)*detJ + + END DO END FUNCTION elemFRad @@ -377,7 +393,7 @@ MODULE moduleMesh1DRad END FUNCTION insideRad SUBROUTINE scatterRad(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 40c218c..10b12fe 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -190,9 +190,9 @@ MODULE moduleMesh2DCart self%x = (/r1(1), r2(1)/) self%y = (/r1(2), r2(2)/) !Normal vector - self%normal = (/ self%y(2)-self%y(1), & - self%x(2)-self%x(1), & - 0.D0 /) + self%normal = (/ -(self%y(2)-self%y(1)), & + self%x(2)-self%x(1) , & + 0.D0 /) self%normal = self%normal/NORM2(self%normal) !Boundary index @@ -243,20 +243,21 @@ MODULE moduleMesh2DCart END FUNCTION getNodes2DCart - PURE FUNCTION intersection2DCartEdge(self, r0, v0) RESULT(r) + PURE FUNCTION intersection2DCartEdge(self, r0) RESULT(r) IMPLICIT NONE CLASS(meshEdge2DCart), INTENT(in):: self - REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3), INTENT(in):: r0 REAL(8), DIMENSION(1:3):: r - REAL(8), DIMENSION(1:3):: rS !base point of surface - REAL(8):: d + REAL(8), DIMENSION(1:3):: edge0, edgeV + REAL(8):: tI - rS = (/ self%x(1), self%y(1), 0.D0 /) + edge0 = (/self%x(1), self%y(1), 0.D0 /) + edgeV = (/self%x(2), self%y(2), 0.D0 /) - edge0 - d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + tI = DOT_PRODUCT(r0 - edge0, edgeV)/DOT_PRODUCT(edgeV, edgeV) - r = r0 + v0*d + r = edge0 + tI*edgeV END FUNCTION intersection2DCartEdge @@ -496,7 +497,7 @@ MODULE moduleMesh2DCart !Scatter properties of particle into element nodes SUBROUTINE scatterQuad(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE @@ -855,7 +856,7 @@ MODULE moduleMesh2DCart !Scatter properties of particles into element SUBROUTINE scatterTria(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 index b0f2ee3..96664df 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 @@ -437,15 +437,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n1%n == elemB%n1%n .AND. & elemA%n2%n == elemB%n2%n) THEN elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -456,15 +456,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n2%n == elemB%n1%n .AND. & elemA%n3%n == elemB%n2%n) THEN elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -475,15 +475,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n3%n == elemB%n1%n .AND. & elemA%n4%n == elemB%n2%n) THEN elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n4%n == elemB%n1%n) THEN elemA%e3 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -494,15 +494,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n4%n == elemB%n1%n .AND. & elemA%n1%n == elemB%n2%n) THEN elemA%e4 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n4%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e4 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -521,16 +521,16 @@ MODULE moduleMesh2DCartRead IF (elemA%n1%n == elemB%n1%n .AND. & elemA%n2%n == elemB%n2%n) THEN elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + END IF END IF @@ -540,15 +540,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n2%n == elemB%n1%n .AND. & elemA%n3%n == elemB%n2%n) THEN elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -559,15 +559,15 @@ MODULE moduleMesh2DCartRead IF (elemA%n3%n == elemB%n1%n .AND. & elemA%n1%n == elemB%n2%n) THEN elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e3 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index e0f3a27..d48af83 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -191,9 +191,9 @@ MODULE moduleMesh2DCyl self%z = (/r1(1), r2(1)/) self%r = (/r1(2), r2(2)/) !Normal vector - self%normal = (/ self%r(2)-self%r(1), & - self%z(2)-self%z(1), & - 0.D0 /) + self%normal = (/ -(self%r(2)-self%r(1)), & + self%z(2)-self%z(1) , & + 0.D0 /) self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) @@ -221,20 +221,22 @@ MODULE moduleMesh2DCyl END FUNCTION getNodes2DCyl - PURE FUNCTION intersection2DCylEdge(self, r0, v0) RESULT(r) + PURE FUNCTION intersection2DCylEdge(self, r0) RESULT(r) + USE moduleMath IMPLICIT NONE CLASS(meshEdge2DCyl), INTENT(in):: self - REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), DIMENSION(1:3), INTENT(in):: r0 REAL(8), DIMENSION(1:3):: r - REAL(8), DIMENSION(1:3):: rS !base point of surface - REAL(8):: d + REAL(8), DIMENSION(1:3):: edge0, edgeV + REAL(8):: tI - rS = (/ self%z(1), self%r(1), 0.D0 /) + edge0 = (/self%z(1), self%r(1), 0.D0 /) + edgeV = (/self%z(2), self%r(2), 0.D0 /) - edge0 - d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + tI = DOT_PRODUCT(r0 - edge0, edgeV)/DOT_PRODUCT(edgeV, edgeV) - r = r0 + v0*d + r = edge0 + tI*edgeV END FUNCTION intersection2DCylEdge @@ -507,7 +509,7 @@ MODULE moduleMesh2DCyl !Scatter properties of particle into element nodes SUBROUTINE scatterQuad(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE @@ -874,7 +876,7 @@ MODULE moduleMesh2DCyl !Scatter properties of particles into element SUBROUTINE scatterTria(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 index 379a0fb..cbe3faf 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 @@ -217,6 +217,29 @@ MODULE moduleMesh2DCylRead END SUBROUTINE connectedVolEdge + PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) + IMPLICIT NONE + + INTEGER, DIMENSION(1:2), INTENT(in):: nodesA, nodesB + LOGICAL:: coincident + INTEGER:: i + + coincident = .FALSE. + DO i = 1, 2 + IF (ANY(nodesA(i) == nodesB)) THEN + coincident = .TRUE. + + ELSE + coincident = .FALSE. + EXIT + + END IF + + END DO + + END FUNCTION coincidentNodes + + SUBROUTINE connectedQuadQuad(elemA, elemB) IMPLICIT NONE @@ -437,15 +460,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n1%n == elemB%n1%n .AND. & elemA%n2%n == elemB%n2%n) THEN elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -456,15 +479,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n2%n == elemB%n1%n .AND. & elemA%n3%n == elemB%n2%n) THEN elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -475,15 +498,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n3%n == elemB%n1%n .AND. & elemA%n4%n == elemB%n2%n) THEN elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n4%n == elemB%n1%n) THEN elemA%e3 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -494,12 +517,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n4%n == elemB%n1%n .AND. & elemA%n1%n == elemB%n2%n) THEN elemA%e4 => elemB - elemB%e2 => elemA + elemB%e1 => elemA ELSEIF (elemA%n4%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e4 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -518,15 +544,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n1%n == elemB%n1%n .AND. & elemA%n2%n == elemB%n2%n) THEN elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n1%n == elemB%n2%n .AND. & elemA%n2%n == elemB%n1%n) THEN elemA%e1 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -537,15 +563,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n2%n == elemB%n1%n .AND. & elemA%n3%n == elemB%n2%n) THEN elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n2%n == elemB%n2%n .AND. & elemA%n3%n == elemB%n1%n) THEN elemA%e2 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF @@ -556,15 +582,15 @@ MODULE moduleMesh2DCylRead IF (elemA%n3%n == elemB%n1%n .AND. & elemA%n1%n == elemB%n2%n) THEN elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal + elemB%e1 => elemA ELSEIF (elemA%n3%n == elemB%n2%n .AND. & elemA%n1%n == elemB%n1%n) THEN elemA%e3 => elemB - elemB%e1 => elemA + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal END IF diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 315cb42..ec7f2b1 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -134,6 +134,7 @@ MODULE moduleMesh3DCart USE moduleSpecies USE moduleBoundary USE moduleErrors + USE moduleMath IMPLICIT NONE CLASS(meshEdge3DCartTria), INTENT(out):: self @@ -142,6 +143,7 @@ MODULE moduleMesh3DCart INTEGER, INTENT(in):: bt INTEGER, INTENT(in):: physicalSurface REAL(8), DIMENSION(1:3):: r1, r2, r3 + REAL(8), DIMENSION(1:3):: vec1, vec2 INTEGER:: s self%n = n @@ -156,10 +158,14 @@ MODULE moduleMesh3DCart self%y = (/r1(2), r2(2), r3(2)/) self%z = (/r1(3), r2(3), r3(3)/) !Normal vector - self%normal = (/ (self%y(2)-self%y(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)), & - (self%x(2)-self%x(1))*(self%z(3)-self%z(1)) - (self%z(2)-self%z(1))*(self%x(3)-self%x(1)), & - (self%x(2)-self%x(1))*(self%y(3)-self%y(1)) - (self%z(2)-self%z(1))*(self%y(3)-self%y(1)) /) - self%normal = self%normal/NORM2(self%normal) + vec1 = (/ self%x(2) - self%x(1), & + self%y(2) - self%y(1), & + self%z(2) - self%z(1) /) + vec2 = (/ self%x(3) - self%x(1), & + self%y(3) - self%y(1), & + self%z(3) - self%z(1) /) + self%normal = crossProduct(vec1, vec2) + self%normal = normalize(self%normal) !Boundary index self%boundary => boundary(bt) @@ -187,20 +193,21 @@ MODULE moduleMesh3DCart END FUNCTION getNodes3DCartTria - PURE FUNCTION intersection3DCartTria(self, r0, v0) RESULT(r) + PURE FUNCTION intersection3DCartTria(self, r0) RESULT(r) IMPLICIT NONE CLASS(meshEdge3DCartTria), INTENT(in):: self - REAL(8), DIMENSION(1:3), INTENT(in):: r0, v0 + REAL(8), INTENT(in):: r0(1:3) REAL(8), DIMENSION(1:3):: r - REAL(8), DIMENSION(1:3):: rS !base point of surface - REAL(8):: d + REAL(8), DIMENSION(1:3):: edge0, edgeV + REAL(8):: tI - rS = (/ self%x(1), self%y(1), self%z(1) /) + edge0 = (/self%x(1), self%y(1), self%z(1) /) + edgeV = (/self%x(2), self%y(2), self%z(2) /) - edge0 - d = DOT_PRODUCT((rS - r0), self%normal)/DOT_PRODUCT(v0, self%normal) + tI = DOT_PRODUCT(r0 - edge0, edgeV)/DOT_PRODUCT(edgeV, edgeV) - r = r0 + v0*d + r = edge0 + tI*edgeV END FUNCTION intersection3DCartTria @@ -476,7 +483,7 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra SUBROUTINE scatterTetra(self, part) - USE moduleOutput + USE moduleMath USE moduleSpecies IMPLICIT NONE @@ -577,7 +584,7 @@ MODULE moduleMesh3DCart INTEGER:: nextInt !TODO: Review when connectivity - xiArray = (/ xi(3), xi(2), 1.D0 - xi(1) - xi(2) - xi(3), xi(1) /) + xiArray = (/ xi(3), 1.D0 - xi(1) - xi(2) - xi(3), xi(2), xi(1) /) nextInt = MINLOC(xiArray, 1) NULLIFY(nextElement) SELECT CASE(nextInt) @@ -647,9 +654,11 @@ MODULE moduleMesh3DCart invJ(2,2) = (dx(1)*dz(3) - dx(3)*dz(1)) invJ(2,3) = -(dx(1)*dz(2) - dx(2)*dz(1)) - invJ(3,1) = -(dx(2)*dy(3) - dx(3)*dy(2)) - invJ(3,2) = (dx(1)*dy(3) - dx(3)*dy(1)) - invJ(3,3) = -(dx(1)*dy(2) - dx(2)*dy(1)) + invJ(3,1) = (dx(2)*dy(3) - dx(3)*dy(2)) + invJ(3,2) = -(dx(1)*dy(3) - dx(3)*dy(1)) + invJ(3,3) = (dx(1)*dy(2) - dx(2)*dy(1)) + + invJ = TRANSPOSE(invJ) END FUNCTION invJ3DCart diff --git a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 index c6b021a..01aef8e 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 @@ -269,25 +269,25 @@ MODULE moduleMesh3DCartRead !Check surface 2 IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e2 => elemB elemB%e1 => elemA - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e2 => elemB elemB%e2 => elemA - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e2 => elemB elemB%e3 => elemA - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e2 => elemB @@ -299,25 +299,25 @@ MODULE moduleMesh3DCartRead !Check surface 3 IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN elemA%e3 => elemB elemB%e1 => elemA - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e3 => elemB elemB%e2 => elemA - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN elemA%e3 => elemB elemB%e3 => elemA - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN elemA%e3 => elemB @@ -328,7 +328,7 @@ MODULE moduleMesh3DCartRead END IF !Check surface 4 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (.NOT. ASSOCIATED(elemA%e4)) THEN IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN @@ -360,77 +360,78 @@ MODULE moduleMesh3DCartRead END SUBROUTINE connectedTetraTetra SUBROUTINE connectedTetraEdge(elemA, elemB) + USE moduleMath IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB + INTEGER:: nodesEdge(1:3) + REAL(8), DIMENSION(1:3):: vec1, vec2 + REAL(8):: normVol(1:3) + + nodesEdge = (/ elemB%n1%n, elemB%n2%n, elemB%n3%n /) !Check surface 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n3%n/), & + nodesEdge)) THEN - elemA%e1 => elemB - elemB%e1 => elemA + vec1 = (/ elemA%x(2) - elemA%x(1), & + elemA%y(2) - elemA%y(1), & + elemA%z(2) - elemA%z(1) /) + vec2 = (/ elemA%x(3) - elemA%x(1), & + elemA%y(3) - elemA%y(1), & + elemA%z(3) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) - ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) .OR. & - (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n)) THEN + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - elemA%e1 => elemB - elemB%e2 => elemA + elemA%e1 => elemB + elemB%e1 => elemA - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal + ELSE + + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF END IF - END IF !Check surface 2 IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + nodesEdge)) THEN - elemA%e2 => elemB - elemB%e1 => elemA + vec1 = (/ elemA%x(3) - elemA%x(2), & + elemA%y(3) - elemA%y(2), & + elemA%z(3) - elemA%z(2) /) + vec2 = (/ elemA%x(4) - elemA%x(2), & + elemA%y(4) - elemA%y(2), & + elemA%z(4) - elemA%z(2) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) - ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) .OR. & - (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n)) THEN + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - elemA%e2 => elemB - elemB%e2 => elemA + elemA%e2 => elemB + elemB%e1 => elemA - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal + ELSE + + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF END IF @@ -438,66 +439,66 @@ MODULE moduleMesh3DCartRead !Check surface 3 IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF ((elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n4%n/), & + nodesEdge)) THEN - elemA%e3 => elemB - elemB%e1 => elemA + vec1 = (/ elemA%x(2) - elemA%x(1), & + elemA%y(2) - elemA%y(1), & + elemA%z(2) - elemA%z(1) /) + vec2 = (/ elemA%x(4) - elemA%x(1), & + elemA%y(4) - elemA%y(1), & + elemA%z(4) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) - ELSEIF ((elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) .OR. & - (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n)) THEN + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - elemA%e3 => elemB - elemB%e2 => elemA + elemA%e3 => elemB + elemB%e1 => elemA - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal + ELSE + + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF END IF END IF !Check surface 4 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF ((elemA%n1%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n3%n) .OR. & - (elemA%n1%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n1%n)) THEN + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elema%n4%n/), & + nodesEdge)) THEN - elemA%e4 => elemB - elemB%e1 => elemA + vec1 = (/ elemA%x(3) - elemA%x(1), & + elemA%y(3) - elemA%y(1), & + elemA%z(3) - elemA%z(1) /) + vec2 = (/ elemA%x(4) - elemA%x(1), & + elemA%y(4) - elemA%y(1), & + elemA%z(4) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) - ELSEIF ((elemA%n1%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) .OR. & - (elemA%n1%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n2%n) .OR. & - (elemA%n1%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n)) THEN + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - elemA%e4 => elemB - elemB%e2 => elemA + elemA%e4 => elemB + elemB%e1 => elemA + + + ELSE + + elemA%e4 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index f5f7b47..137b256 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -97,10 +97,10 @@ MODULE moduleMesh END FUNCTION getNodesEdge_interface !Returns the intersecction between an edge and a line defined by point r0 and vector v0 - PURE FUNCTION intersectionEdge_interface(self, r0, v0) RESULT(r) + PURE FUNCTION intersectionEdge_interface(self, r0) RESULT(r) IMPORT:: meshEdge CLASS(meshEdge), INTENT(in):: self - REAL(8), INTENT(in), DIMENSION(1:3):: r0, v0 + REAL(8), INTENT(in), DIMENSION(1:3):: r0 REAL(8):: r(1:3) END FUNCTION intersectionEdge_interface diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 2252b84..7f5fb88 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -13,30 +13,26 @@ MODULE moduleMeshBoundary !rp = intersection between particle and edge !rpp = final position of particle !vpp = final velocity of particle - REAL(8), DIMENSION(1:3):: rp, rpp, vpp + REAL(8), DIMENSION(1:3):: rp, vpp + REAL(8):: tI REAL(8):: taup !time step for reflecting process !Reflect particle velocity vpp = part%v - 2.D0*DOT_PRODUCT(part%v, edge%normal)*edge%normal + part%v = vpp - !Computes the intersection between particle and surface - rp = edge%intersection(part%r, part%v) + rp = edge%intersection(part%r) - !Computes the reflection time step - taup = NORM2(part%r - rp)*tau(part%sp) + part%r = 2.D0*(rp - part%r) + part%r - !New position of particle - rpp = rp + vpp*taup - - !assign new parameters to particle - part%r = rpp - part%v = vpp + !particle is assumed to be inside part%n_in = .TRUE. END SUBROUTINE reflection !Absoption in a surface SUBROUTINE absorption(edge, part) + USE moduleCaseParam USE moduleSpecies IMPLICIT NONE @@ -45,7 +41,7 @@ MODULE moduleMeshBoundary REAL(8):: rpp(1:3) !Position of particle projected to the edge REAL(8):: d !Distance from particle to edge - rpp = edge%intersection(part%r, part%v) + rpp = edge%intersection(part%r) d = NORM2(rpp - part%r) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index df9df48..9d50abc 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -200,6 +200,7 @@ MODULE moduleInject USE moduleSolver USE moduleMesh USE moduleRandom + USE moduleErrors IMPLICIT NONE CLASS(injectGeneric), INTENT(in):: self @@ -241,7 +242,7 @@ MODULE moduleInject partInj(n)%vol = randomEdge%e2%n ELSE - PRINT *, "ERROR NO VOL ASSOCIATED TO EDGE" + CALL criticalError("No Volume associated to edge", 'addParticles') END IF diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 new file mode 100644 index 0000000..213afa5 --- /dev/null +++ b/src/modules/moduleMath.f90 @@ -0,0 +1,42 @@ +MODULE moduleMath + IMPLICIT NONE + + CONTAINS + !Outer product of two tensors + PURE FUNCTION outerProduct(a,b) RESULT(s) + IMPLICIT NONE + + REAL(8), DIMENSION(1:3), INTENT(in):: a, b + REAL(8):: s(1:3,1:3) + + s = SPREAD(a, dim = 2, ncopies = 3)*SPREAD(b, dim = 1, ncopies = 3) + + END FUNCTION outerProduct + + !Cross product of two 3D vectors + PURE FUNCTION crossProduct(a, b) RESULT(c) + IMPLICIT NONE + + REAL(8), DIMENSION(1:3), INTENT(in):: a, b + REAL(8), DIMENSION(1:3):: c + + c = 0.D0 + + c(1) = a(2)*b(3) - a(3)*b(2) + c(2) = -(a(1)*b(3) - a(3)*b(1)) + c(3) = a(1)*b(2) - a(2)*b(1) + + END FUNCTION crossProduct + + !Normalizes a 3D vector + PURE FUNCTION normalize(a) RESULT(b) + IMPLICIT NONE + + REAL(8), DIMENSION(1:3), INTENT(in):: a + REAL(8), DIMENSION(1:3):: b + + b = a / NORM2(a) + + END FUNCTION normalize + +END MODULE moduleMath diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index b4b8317..963302d 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -31,16 +31,6 @@ MODULE moduleOutput LOGICAL:: emOutput = .FALSE. CONTAINS - FUNCTION outerProduct(a,b) RESULT(s) - IMPLICIT NONE - - REAL(8), DIMENSION(1:3):: a, b - REAL(8):: s(1:3,1:3) - - s = SPREAD(a, dim = 2, ncopies = 3)*SPREAD(b, dim = 1, ncopies = 3) - - END FUNCTION outerProduct - FUNCTION tensorTrace(a) RESULT(t) IMPLICIT NONE @@ -56,6 +46,7 @@ MODULE moduleOutput USE moduleConstParam USE moduleRefParam USE moduleSpecies + USE moduleMath IMPLICIT NONE TYPE(outputNode), INTENT(in):: rawValues From 12e61731dfe96733a027235127fa423035e1823e Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 23 Mar 2021 16:43:11 +0100 Subject: [PATCH 015/203] Ionization boundary ready to testing. Fixed an issue in which some particles in the corner were interacting with the axis boundary. Now the axis acts as a reflective boundary in case a particle is wrongly assigned to it. --- src/modules/mesh/moduleMeshBoundary.f90 | 29 +++++++++++++++++-------- src/modules/moduleBoundary.f90 | 15 ++++++++----- src/modules/moduleInput.f90 | 9 +++++--- 3 files changed, 36 insertions(+), 17 deletions(-) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 7f5fb88..7553733 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -111,6 +111,7 @@ MODULE moduleMeshBoundary USE moduleSpecies USE moduleMesh USE moduleRefParam + USE moduleRandom IMPLICIT NONE CLASS(meshEdge), INTENT(inout):: edge @@ -118,6 +119,7 @@ MODULE moduleMeshBoundary REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass REAL(8):: ionizationRate INTEGER:: ionizationPair, p + REAL(8):: v0(1:3) !random velocity of neutral TYPE(particle), POINTER:: newElectron TYPE(particle), POINTER:: newIon @@ -128,21 +130,26 @@ MODULE moduleMeshBoundary eRel = mRel*vRel**2*5.D-1 IF (eRel > bound%eThreshold) THEN - !TODO: Check units - ionizationRate = bound%n0*bound%crossSection%get(eRel) + ionizationRate = part%weight*bound%n0*bound%crossSection%get(eRel)*vRel - ionizationPair = INT(ionizationRate*tauMin*ti_ref/species(bound%sp)%obj%weight) + !Rounds the number of particles up + ionizationPair = NINT(ionizationRate*bound%effectiveTime/species(bound%sp)%obj%weight) !Create the new pair of particles DO p = 1, ionizationPair ALLOCATE(newElectron) ALLOCATE(newIon) + !Assign random velocity to the neutral + v0(1) = bound%v0(1) + bound%vTh*randomMaxwellian() + v0(2) = bound%v0(2) + bound%vTh*randomMaxwellian() + v0(3) = bound%v0(3) + bound%vTh*randomMaxwellian() + newElectron%sp = part%sp newIon%sp = bound%sp - newElectron%v = 10.D0*bound%v0 + (1.D0 + bound%deltaV/NORM2(bound%v0)) - newIon%v = bound%v0 + newElectron%v = v0 + (1.D0 + bound%deltaV*v0/NORM2(v0)) + newIon%v = v0 newElectron%r = edge%randPos() newIon%r = newElectron%r @@ -174,16 +181,18 @@ MODULE moduleMeshBoundary END DO - !Removes ionizing electron - part%n_in = .FALSE. - END IF END SELECT + !Removes ionizing electron regardless the number of pair created + part%n_in = .FALSE. + END SUBROUTINE ionization - !Symmetry axis. Dummy function + !Symmetry axis. Reflects particles. + !Although this function should never be called, it is set as a reflective boundary + !to properly deal with possible particles reaching a corner and selecting this boundary. SUBROUTINE symmetryAxis(edge, part) USE moduleSpecies IMPLICIT NONE @@ -191,6 +200,8 @@ MODULE moduleMeshBoundary CLASS(meshEdge), INTENT(inout):: edge CLASS(particle), INTENT(inout):: part + CALL reflection(edge, part) + END SUBROUTINE symmetryAxis !Points the boundary function to specific type diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 66a98df..320bdad 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -35,9 +35,10 @@ MODULE moduleBoundary !Ionization boundary TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryIonization - REAL(8):: m0, n0, v0(1:3), T0 !Properties of background neutrals. + REAL(8):: m0, n0, v0(1:3), vTh !Properties of background neutrals. INTEGER:: sp !Ion species TYPE(table1D):: crossSection + REAL(8):: effectiveTime REAL(8):: eThreshold REAL(8):: deltaV @@ -99,7 +100,7 @@ MODULE moduleBoundary END SUBROUTINE initWallTemperature - SUBROUTINE initIonization(boundary, m0, n0, v0, T0, speciesID, crossSection, eThreshold) + SUBROUTINE initIonization(boundary, me, m0, n0, v0, T0, speciesID, effTime, crossSection, eThreshold) USE moduleRefParam USE moduleSpecies USE moduleCaseParam @@ -107,8 +108,10 @@ MODULE moduleBoundary IMPLICIT NONE CLASS(boundaryGeneric), ALLOCATABLE, INTENT(out):: boundary - REAL(8), INTENT(in):: m0, n0, v0(1:3), T0 + REAL(8), INTENT(in):: me !Electron mass + REAL(8), INTENT(in):: m0, n0, v0(1:3), T0 !Neutral properties INTEGER:: speciesID + REAL(8):: effTime CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSection REAL(8), INTENT(in):: eThreshold @@ -117,13 +120,15 @@ MODULE moduleBoundary SELECT TYPE(boundary) TYPE IS(boundaryIonization) boundary%m0 = m0 / m_ref - boundary%n0 = n0 + boundary%n0 = n0 * Vol_ref boundary%v0 = v0 / v_ref - boundary%T0 = T0 / T_ref + boundary%vTh = DSQRT(kb*T0/m0)/v_ref boundary%sp = speciesID + boundary%effectiveTime = effTime / ti_ref CALL boundary%crossSection%init(crossSection) CALL boundary%crossSection%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) boundary%eThreshold = eThreshold*eV2J/(m_ref*v_ref**2) + boundary%deltaV = DSQRT(boundary%eThreshold/me) END SELECT diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 96debdd..b7d8bc4 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -600,9 +600,9 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: object, bType REAL(8):: Tw, cw !Wall temperature and specific heat !Neutral Properties - REAL(8):: m0, n0 + REAL(8):: m0, n0, T0 REAL(8), DIMENSION(:), ALLOCATABLE:: v0 - REAL(8):: T0 + REAL(8):: effTime REAL(8):: eThreshold !Energy threshold INTEGER:: speciesID CHARACTER(:), ALLOCATABLE:: speciesName, crossSection @@ -647,12 +647,15 @@ MODULE moduleInput IF (.NOT. found) CALL criticalError("missing parameter 'velocity' for neutrals in ionization", 'readBoundary') CALL config%get(object // '.neutral.temperature', T0, found) IF (.NOT. found) CALL criticalError("missing parameter 'temperature' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.effectiveTime', effTime, found) + IF (.NOT. found) CALL criticalError("missing parameter 'effectiveTime' for neutrals in ionization", 'readBoundary') CALL config%get(object // '.energyThreshold', eThreshold, found) IF (.NOT. found) CALL criticalError("missing parameter 'eThreshold' in ionization", 'readBoundary') CALL config%get(object // '.crossSection', crossSection, found) IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') - CALL initIonization(boundary(i)%bTypes(s)%obj, m0, n0, v0, T0, speciesID, crossSection, eThreshold) + CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & + speciesID, effTime, crossSection, eThreshold) CASE('wallTemperature') CALL config%get(object // '.temperature', Tw, found) From 2a843547b81b490815724b45861bb6dfcc1a5d7f Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 27 Mar 2021 11:38:18 +0100 Subject: [PATCH 016/203] Ionization boundary condition fully tested. Documentation updated properly. 3D Cartesian geometry also tested. Documentation updated properly. 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normal(1:3) + !Weight for random injection of particles + REAL(8):: weight = 1.D0 !Pointer to boundary element TYPE(boundaryCont), POINTER:: boundary !Array of functions for boundary conditions diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 7553733..9a512b0 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -137,14 +137,15 @@ MODULE moduleMeshBoundary !Create the new pair of particles DO p = 1, ionizationPair - ALLOCATE(newElectron) - ALLOCATE(newIon) - !Assign random velocity to the neutral v0(1) = bound%v0(1) + bound%vTh*randomMaxwellian() v0(2) = bound%v0(2) + bound%vTh*randomMaxwellian() v0(3) = bound%v0(3) + bound%vTh*randomMaxwellian() + !Allocates the new particles + ALLOCATE(newElectron) + ALLOCATE(newIon) + newElectron%sp = part%sp newIon%sp = bound%sp diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9d50abc..9a2659e 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -54,6 +54,8 @@ MODULE moduleInject INTEGER:: sp !Species of injection INTEGER:: nEdges INTEGER, ALLOCATABLE:: edges(:) !Array with edges + REAL(8), ALLOCATABLE:: cumWeight(:) !Array of cummulative probability + REAL(8):: sumWeight TYPE(velDistCont):: v(1:3) !Velocity distribution function in each direction CONTAINS PROCEDURE, PASS:: init => initInject @@ -121,12 +123,21 @@ MODULE moduleInject DO e=1, mesh%numEdges IF (mesh%edges(e)%obj%physicalSurface == physicalSurface) THEN et = et + 1 - self%edges(et) = mesh%edges(e)%obj%n + self%edges(et) = mesh%edges(e)%obj%n END IF END DO + !Calculates cumulative probability + ALLOCATE(self%cumWeight(1:self%nEdges)) + self%cumWeight(1) = mesh%edges(self%edges(et))%obj%weight + DO et = 2, self%nEdges + self%cumWeight(et) = mesh%edges(self%edges(et))%obj%weight + self%cumWeight(et-1) + + END DO + self%sumWeight = self%cumWeight(self%nEdges) + nPartInj = nPartInj + self%nParticles END SUBROUTINE initInject @@ -229,7 +240,7 @@ MODULE moduleInject !$OMP DO DO n = nMin, nMax - randomX = random(1, self%nEdges) + randomX = randomWeighted(self%cumWeight, self%sumWeight) randomEdge => mesh%edges(self%edges(randomX))%obj !Random position in edge diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index b7d8bc4..db19423 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -636,21 +636,27 @@ MODULE moduleInput ALLOCATE(boundaryTransparent:: boundary(i)%bTypes(s)%obj) CASE('ionization') - CALL config%get(object // '.neutral.name', speciesName, found) - IF (.NOT. found) CALL criticalError("missing parameter 'name' for neutrals in ionization", 'readBoundary') + !Neutral parameters + CALL config%get(object // '.neutral.ion', speciesName, found) + IF (.NOT. found) CALL criticalError("missing parameter 'ion' for neutrals in ionization", 'readBoundary') speciesID = speciesName2Index(speciesName) CALL config%get(object // '.neutral.mass', m0, found) - IF (.NOT. found) CALL criticalError("missing parameter 'mass' for neutrals in ionization", 'readBoundary') + IF (.NOT. found) THEN + m0 = species(s)%obj%m*m_ref + END IF CALL config%get(object // '.neutral.density', n0, found) IF (.NOT. found) CALL criticalError("missing parameter 'density' for neutrals in ionization", 'readBoundary') CALL config%get(object // '.neutral.velocity', v0, found) IF (.NOT. found) CALL criticalError("missing parameter 'velocity' for neutrals in ionization", 'readBoundary') CALL config%get(object // '.neutral.temperature', T0, found) IF (.NOT. found) CALL criticalError("missing parameter 'temperature' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.effectiveTime', effTime, found) - IF (.NOT. found) CALL criticalError("missing parameter 'effectiveTime' for neutrals in ionization", 'readBoundary') + IF (.NOT. found) CALL criticalError("missing parameter 'effectiveTime' for ionization", 'readBoundary') + CALL config%get(object // '.energyThreshold', eThreshold, found) IF (.NOT. found) CALL criticalError("missing parameter 'eThreshold' in ionization", 'readBoundary') + CALL config%get(object // '.crossSection', crossSection, found) IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') diff --git a/src/modules/moduleRandom.f90 b/src/modules/moduleRandom.f90 index ec5eddd..cd553a8 100644 --- a/src/modules/moduleRandom.f90 +++ b/src/modules/moduleRandom.f90 @@ -66,4 +66,18 @@ MODULE moduleRandom END FUNCTION randomMaxwellian + !Returns a random number weighted with the cumWeight array + FUNCTION randomWeighted(cumWeight, sumWeight) RESULT(rnd) + IMPLICIT NONE + + REAL(8), INTENT(in):: cumWeight(1:) + REAL(8), INTENT(in):: sumWeight + REAL(8):: rnd0b + INTEGER:: rnd + + rnd0b = random(0.D0, sumWeight) + rnd = MINLOC(DABS(rnd0b - cumWeight), 1) + + END FUNCTION randomWeighted + END MODULE moduleRandom From 643112073428ebfbca7a1429b2e02602df014135 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 28 Mar 2021 15:17:10 +0200 Subject: [PATCH 017/203] Small modifications to the 1D Cathode case. --- runs/1D_Cathode/Argon+_Background.dat | 100 ++++++++++++------------ runs/1D_Cathode/Electron_Background.dat | 100 ++++++++++++------------ runs/1D_Cathode/inputCart.json | 32 +++++--- runs/1D_Cathode/inputRadEmission.json | 12 +-- runs/ALPHIE_Grid/inputDiffTau.json | 76 ------------------ runs/ALPHIE_Grid/inputSameTau.json | 76 ------------------ 6 files changed, 127 insertions(+), 269 deletions(-) delete mode 100644 runs/ALPHIE_Grid/inputDiffTau.json delete mode 100644 runs/ALPHIE_Grid/inputSameTau.json diff --git a/runs/1D_Cathode/Argon+_Background.dat b/runs/1D_Cathode/Argon+_Background.dat index b09138f..b9128d9 100644 --- a/runs/1D_Cathode/Argon+_Background.dat +++ b/runs/1D_Cathode/Argon+_Background.dat @@ -1,51 +1,51 @@ #Element Density(m^-3) Velocity (m/2) Temperature (K) -1 1683217500000000 -19386.6 0 0 500 -2 1577004000000000 -19130.6 0 0 500 -3 1483725500000000 -18673.4 0 0 500 -4 1495368000000000 -18223.2 0 0 500 -5 1601330000000000 -17804.8 0 0 500 -6 1630851500000000 -17360.2 0 0 500 -7 1569924000000000 -16986.4 0 0 500 -8 1555674000000000 -16567.4 0 0 500 -9 1501328000000000 -16181.2 0 0 500 -10 1472318000000000 -15785.9 0 0 500 -11 1458490000000000 -15374.6 0 0 500 -12 1457809500000000 -15012.6 0 0 500 -13 1474687000000000 -14477.2 0 0 500 -14 1473073500000000 -14242.7 0 0 500 -15 1511770500000000 -13848.8 0 0 500 -16 1564946500000000 -13502.7 0 0 500 -17 1533674000000000 -13157.7 0 0 500 -18 1473108000000000 -12764.5 0 0 500 -19 1496640000000000 -12488.3 0 0 500 -20 1514440500000000 -12036.1 0 0 500 -21 1494114500000000 -11665.3 0 0 500 -22 1493046500000000 -11348.2 0 0 500 -23 1500858500000000 -10977.3 0 0 500 -24 1494480500000000 -10624.9 0 0 500 -25 1542839500000000 -11111.7 0 0 500 -26 1596599500000000 -9940.4 0 0 500 -27 1650272000000000 -9566.4 0 0 500 -28 1690817500000000 -9223.5 0 0 500 -29 1724662000000000 -8917.5 0 0 500 -30 1777677500000000 -8544.2 0 0 500 -31 1809272500000000 -8129.9 0 0 500 -32 1814150000000000 -7827.7 0 0 500 -33 1838401500000000 -7458.4 0 0 500 -34 1977935000000000 -7113.4 0 0 500 -35 2093814500000000 -6707.0 0 0 500 -36 2107688500000000 -6373.7 0 0 500 -37 2244944000000000 -6024.8 0 0 500 -38 2390213000000000 -5625.1 0 0 500 -39 2484013500000000 -5223.9 0 0 500 -40 2600636000000000 -4862.8 0 0 500 -41 2751150500000000 -4640.7 0 0 500 -42 2972491500000000 -4116.6 0 0 500 -43 3282084500000000 -3661.9 0 0 500 -44 3682392500000000 -3241.6 0 0 500 -45 4103775500000000 -2772.5 0 0 500 -46 4913489500000000 -2383.0 0 0 500 -47 6405310500000000 -1911.6 0 0 500 -48 9003078999999999 -1483.9 0 0 500 -49 1.3388345E+016 -993.4 0 0 500 -50 2.266645E+016 -592.5 0 0 500 +1 1.8672E+15 -4.2433E+04 0.0000E+00 0.0000E+00 1.7536E+03 +2 1.7491E+15 -4.1621E+04 0.0000E+00 0.0000E+00 1.8298E+03 +3 1.7130E+15 -4.0665E+04 0.0000E+00 0.0000E+00 1.6838E+03 +4 1.7346E+15 -3.9729E+04 0.0000E+00 0.0000E+00 1.5787E+03 +5 1.7565E+15 -3.8817E+04 0.0000E+00 0.0000E+00 1.5641E+03 +6 1.7107E+15 -3.7924E+04 0.0000E+00 0.0000E+00 1.4574E+03 +7 1.6611E+15 -3.7036E+04 0.0000E+00 0.0000E+00 1.3561E+03 +8 1.6543E+15 -3.6166E+04 0.0000E+00 0.0000E+00 1.2648E+03 +9 1.6850E+15 -3.5302E+04 0.0000E+00 0.0000E+00 1.1812E+03 +10 1.7615E+15 -3.4449E+04 0.0000E+00 0.0000E+00 1.1669E+03 +11 1.7123E+15 -3.3627E+04 0.0000E+00 0.0000E+00 1.1458E+03 +12 1.6138E+15 -3.2791E+04 0.0000E+00 0.0000E+00 1.0411E+03 +13 1.6308E+15 -3.1965E+04 0.0000E+00 0.0000E+00 9.6919E+02 +14 1.6581E+15 -3.1161E+04 0.0000E+00 0.0000E+00 9.8432E+02 +15 1.6576E+15 -3.0359E+04 0.0000E+00 0.0000E+00 9.8741E+02 +16 1.6780E+15 -2.9560E+04 0.0000E+00 0.0000E+00 9.1285E+02 +17 1.6906E+15 -2.8768E+04 0.0000E+00 0.0000E+00 8.5525E+02 +18 1.6773E+15 -2.7987E+04 0.0000E+00 0.0000E+00 8.5787E+02 +19 1.6571E+15 -2.7208E+04 0.0000E+00 0.0000E+00 8.3556E+02 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0.0000E+00 5.9199E+02 +37 2.5632E+15 -1.3209E+04 0.0000E+00 0.0000E+00 5.8388E+02 +38 2.6774E+15 -1.2384E+04 0.0000E+00 0.0000E+00 5.8875E+02 +39 2.8107E+15 -1.1544E+04 0.0000E+00 0.0000E+00 5.8973E+02 +40 2.9409E+15 -1.0692E+04 0.0000E+00 0.0000E+00 5.9631E+02 +41 3.1254E+15 -9.8219E+03 0.0000E+00 0.0000E+00 5.9943E+02 +42 3.4330E+15 -8.9344E+03 0.0000E+00 0.0000E+00 5.9491E+02 +43 3.7218E+15 -8.0260E+03 0.0000E+00 0.0000E+00 5.9949E+02 +44 4.0857E+15 -7.0817E+03 0.0000E+00 0.0000E+00 6.4591E+02 +45 4.5046E+15 -6.1015E+03 0.0000E+00 0.0000E+00 5.9669E+02 +46 5.4123E+15 -5.0997E+03 0.0000E+00 0.0000E+00 5.7835E+02 +47 6.7144E+15 -4.2183E+03 0.0000E+00 0.0000E+00 4.7454E+02 +48 9.1344E+15 -3.1141E+03 0.0000E+00 0.0000E+00 3.0000E+02 +49 1.4157E+16 -1.8530E+03 0.0000E+00 0.0000E+00 3.0000E+02 +50 2.3064E+16 -9.7547E+02 0.0000E+00 0.0000E+00 2.7186E+02 diff --git a/runs/1D_Cathode/Electron_Background.dat b/runs/1D_Cathode/Electron_Background.dat index e03cc49..5243fab 100644 --- a/runs/1D_Cathode/Electron_Background.dat +++ b/runs/1D_Cathode/Electron_Background.dat @@ -1,51 +1,51 @@ #Element Density(m^-3) Velocity (m/2) Temperature (K) -1 0 0 0 0 11604 -2 0 0 0 0 11604 -3 0 0 0 0 11604 -4 0 0 0 0 11604 -5 0 0 0 0 11604 -6 0 0 0 0 11604 -7 0 0 0 0 11604 -8 0 0 0 0 11604 -9 0 0 0 0 11604 -10 0 0 0 0 11604 -11 0 0 0 0 11604 -12 0 0 0 0 11604 -13 0 0 0 0 11604 -14 0 0 0 0 11604 -15 0 0 0 0 11604 -16 0 0 0 0 11604 -17 0 0 0 0 11604 -18 0 0 0 0 11604 -19 0 0 0 0 11604 -20 0 0 0 0 11604 -21 0 0 0 0 11604 -22 0 0 0 0 11604 -23 0 0 0 0 11604 -24 0 0 0 0 11604 -25 0 0 0 0 11604 -26 0 0 0 0 11604 -27 0 0 0 0 11604 -28 0 0 0 0 11604 -29 0 0 0 0 11604 -30 0 0 0 0 11604 -31 0 0 0 0 11604 -32 0 0 0 0 11604 -33 0 0 0 0 11604 -34 0 0 0 0 11604 -35 0 0 0 0 11604 -36 0 0 0 0 11604 -37 0 0 0 0 11604 -38 0 0 0 0 11604 -39 0 0 0 0 11604 -40 0 0 0 0 11604 -41 0 0 0 0 11604 -42 0 0 0 0 11604 -43 529256500000 32881.47 0 0 11604 -44 5035006500000 40868.50 0 0 11604 -45 37296800000000 5264.45 0 0 11604 -46 226267350000000 -12113.65 0 0 11604 -47 928316300000000 -15834.22 0 0 11604 -48 3119752000000000 -12139.49 0 0 11604 -49 7748062000000000 -8297.72 0 0 11604 -50 1.348286E+016 43.29 0 0 11604 +1 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +2 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +3 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +4 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +5 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +6 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +7 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +8 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +9 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +10 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +11 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +12 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +13 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +14 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +15 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +16 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +17 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +18 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +19 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +20 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +21 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +22 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +23 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +24 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +25 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +26 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +27 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +28 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +29 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +30 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +31 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +32 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +33 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +34 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +35 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +36 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +37 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +38 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +39 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +40 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +41 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +42 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +43 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +44 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 +45 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 +46 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 +47 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 +48 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 +49 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 +50 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index a3ad40f..2d1248e 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -6,12 +6,12 @@ "cpuTime": false, "numColl": false, "EMField": true, - "folder": "Cartesian" + "folder": "Cartesian_Emision" }, "reference": { "density": 1.0e16, "mass": 9.109e-31, - "temperature": 2500.0 + "temperature": 11604.0 }, "geometry": { "type": "1DCart", @@ -19,33 +19,43 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ + {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ + {"type": "transparent"}, {"type": "transparent"} ]} ], "boundaryEM": [ - {"name": "Cathode", "type": "dirichlet", "potential": -10.0, "physicalSurface": 1}, - {"name": "Infinite", "type": "dirichlet", "potential": 0.0, "physicalSurface": 2} + {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-3, "units": "A", "v": 27500.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 300.0, "T": [ 500.0, 500.0, 500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, + {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, + {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "case": { - "tau": [1.0e-11], - "time": 1.0e-7, - "pusher": ["1DCartCharged"], - "EMSolver": "Electrostatic" + "tau": [1.0e-11, 1.0e-11], + "time": 4.0e-6, + "pusher": ["1DCartCharged", "1DCartCharged"], + "EMSolver": "Electrostatic", + "initial": [ + {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, + {"speciesName": "Electron", "initialState": "Electron_Background.dat"} + ] }, "parallel": { "OpenMP":{ - "nThreads": 1 + "nThreads": 24 } } } diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index ba3ce41..012f105 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -6,7 +6,7 @@ "cpuTime": false, "numColl": false, "EMField": true, - "folder": "Radial_Emision" + "folder": "Radial_Emission" }, "reference": { "density": 1.0e16, @@ -33,19 +33,19 @@ ]} ], "boundaryEM": [ - {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 300.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], + {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 323.0, "T": [ 500.0, 500.0, 500.0], + "velDist": ["Delta", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, + {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "case": { "tau": [1.0e-11, 1.0e-11], - "time": 4.0e-6, + "time": 3.0e-7, "pusher": ["1DRadCharged", "1DRadCharged"], "EMSolver": "Electrostatic", "initial": [ diff --git a/runs/ALPHIE_Grid/inputDiffTau.json b/runs/ALPHIE_Grid/inputDiffTau.json deleted file mode 100644 index 18f1ebe..0000000 --- a/runs/ALPHIE_Grid/inputDiffTau.json +++ /dev/null @@ -1,76 +0,0 @@ -{ - "output": { - "path": "./runs/ALPHIE_Grid/", - "triggerOutput": 500, - "cpuTime": true, - "numColl": false, - "EMField": true, - "folder": "Diff_tau" - }, - "geometry": { - "type": "2DCyl", - "meshType": "gmsh", - "meshFile": "mesh.msh" - }, - "species": [ - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} - ], - "boundary": [ - {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ - {"type": "transparent"}, - {"type": "transparent"} - ]}, - {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, - {"type": "transparent"} - ]}, - {"name": "Exterior", "physicalSurface": 3, "bTypes": [ - {"type": "reflection"}, - {"type": "reflection"} - ]}, - {"name": "Grid Extraction", "physicalSurface": 4, "bTypes": [ - {"type": "absorption"}, - {"type": "absorption"} - ]}, - {"name": "Grid Acceleration", "physicalSurface": 5, "bTypes": [ - {"type": "absorption"}, - {"type": "absorption"} - ]}, - {"name": "Axis", "physicalSurface": 6, "bTypes": [ - {"type": "axis"}, - {"type": "axis"} - ]} - ], - "boundaryEM": [ - {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, - {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} - ], - "inject": [ - {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Ionization Electron", "species": "Electron", "flow": 27.0e-6, "units": "A", "v": 87000.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} - ], - "reference": { - "density": 1.0e16, - "mass": 9.109e-31, - "temperature": 2500.0, - "radius": 1.88e-10 - }, - "case": { - "tau": [1.0e-9, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], - "WeightingScheme": "Volume", - "EMSolver": "Electrostatic" - }, - "parallel": { - "OpenMP":{ - "nThreads": 24 - } - } -} diff --git a/runs/ALPHIE_Grid/inputSameTau.json b/runs/ALPHIE_Grid/inputSameTau.json deleted file mode 100644 index 5c91d42..0000000 --- a/runs/ALPHIE_Grid/inputSameTau.json +++ /dev/null @@ -1,76 +0,0 @@ -{ - "output": { - "path": "./runs/ALPHIE_Grid/", - "triggerOutput": 500, - "cpuTime": true, - "numColl": false, - "EMField": true, - "folder": "Same_tau" - }, - "geometry": { - "type": "2DCyl", - "meshType": "gmsh", - "meshFile": "mesh.msh" - }, - "species": [ - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} - ], - "boundary": [ - {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ - {"type": "transparent"}, - {"type": "transparent"} - ]}, - {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, - {"type": "transparent"} - ]}, - {"name": "Exterior", "physicalSurface": 3, "bTypes": [ - {"type": "reflection"}, - {"type": "reflection"} - ]}, - {"name": "Grid Extraction", "physicalSurface": 4, "bTypes": [ - {"type": "absorption"}, - {"type": "absorption"} - ]}, - {"name": "Grid Acceleration", "physicalSurface": 5, "bTypes": [ - {"type": "absorption"}, - {"type": "absorption"} - ]}, - {"name": "Axis", "physicalSurface": 6, "bTypes": [ - {"type": "axis"}, - {"type": "axis"} - ]} - ], - "boundaryEM": [ - {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, - {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} - ], - "inject": [ - {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Ionization Electron", "species": "Electron", "flow": 27.0e-6, "units": "A", "v": 87000.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} - ], - "reference": { - "density": 1.0e16, - "mass": 9.109e-31, - "temperature": 2500.0, - "radius": 1.88e-10 - }, - "case": { - "tau": [1.0e-11, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], - "WeightingScheme": "Volume", - "EMSolver": "Electrostatic" - }, - "parallel": { - "OpenMP":{ - "nThreads": 24 - } - } -} From bf4b8b41d3fa11fb760f22849597f71d888e7e57 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 28 Mar 2021 15:20:27 +0200 Subject: [PATCH 018/203] Fixed an issue in the compilation caused by not included the moduleRefCase when using m_ref in moduleInput. --- src/modules/moduleInput.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index db19423..61c7117 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -591,6 +591,7 @@ MODULE moduleInput USE moduleBoundary USE moduleErrors USE moduleSpecies + USE moduleRefParam USE json_module IMPLICIT NONE From ec128902ad44c1cf035446164a1634d461853318 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 28 Mar 2021 15:55:26 +0200 Subject: [PATCH 019/203] The integer part%sp that referenced the species index has been substituted for a pointer to the species. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 4 +-- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 4 +-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 14 ++++---- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 14 ++++---- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 8 ++--- src/modules/mesh/moduleMesh.f90 | 4 +-- src/modules/mesh/moduleMeshBoundary.f90 | 16 ++++----- src/modules/moduleBoundary.f90 | 5 +-- src/modules/moduleCollisions.f90 | 36 ++++++++++---------- src/modules/moduleInject.f90 | 24 +++++++------ src/modules/moduleInput.f90 | 24 ++++++------- src/modules/moduleSolver.f90 | 4 +-- src/modules/moduleSpecies.f90 | 24 +++++++------ 13 files changed, 94 insertions(+), 87 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 020b971..46f5a00 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -395,12 +395,12 @@ MODULE moduleMesh1DCart w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 08609cd..12020c8 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -406,12 +406,12 @@ MODULE moduleMesh1DRad w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 10b12fe..be1f071 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -510,22 +510,22 @@ MODULE moduleMesh2DCart w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS - vertex => self%n3%output(part%sp) + vertex => self%n3%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(3) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS - vertex => self%n4%output(part%sp) + vertex => self%n4%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(4) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS @@ -869,17 +869,17 @@ MODULE moduleMesh2DCart w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS - vertex => self%n3%output(part%sp) + vertex => self%n3%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(3) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 888fce8..4318dff 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -531,22 +531,22 @@ MODULE moduleMesh2DCyl w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS - vertex => self%n3%output(part%sp) + vertex => self%n3%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(3) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS - vertex => self%n4%output(part%sp) + vertex => self%n4%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(4) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS @@ -898,17 +898,17 @@ MODULE moduleMesh2DCyl w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS - vertex => self%n3%output(part%sp) + vertex => self%n3%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(3) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index ec7f2b1..ce7f235 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -496,22 +496,22 @@ MODULE moduleMesh3DCart w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%sp) + vertex => self%n1%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(1) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS - vertex => self%n2%output(part%sp) + vertex => self%n2%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(2) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS - vertex => self%n3%output(part%sp) + vertex => self%n3%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(3) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS - vertex => self%n4%output(part%sp) + vertex => self%n4%output(part%species%n) vertex%den = vertex%den + part%weight*w_p(4) vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 80b0e03..9aff9e5 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -375,7 +375,7 @@ MODULE moduleMesh CLASS IS (meshEdge) !Particle encountered a surface, apply boundary - CALL nextElement%fBoundary(part%sp)%apply(nextElement,part) + CALL nextElement%fBoundary(part%species%n)%apply(nextElement,part) !If particle is still inside the domain, call findCell IF (part%n_in) THEN @@ -439,7 +439,7 @@ MODULE moduleMesh part_i => partTemp(rnd)%part rnd = random(1, nPart) part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%sp, part_j%sp) + ij = interactionIndex(part_i%species%n, part_j%species%n) sigmaVrelMaxNew = 0.D0 DO k = 1, interactionMatrix(ij)%amount CALL interactionMatrix(ij)%collisions(k)%obj%collide(self%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 9a512b0..e89b8f3 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -91,7 +91,7 @@ MODULE moduleMeshBoundary INTEGER:: i !Modifies particle velocity according to wall temperature - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) + SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj) TYPE IS(boundaryWallTemperature) DO i = 1, 3 part%v(i) = part%v(i) + bound%vTh*randomMaxwellian() @@ -123,9 +123,9 @@ MODULE moduleMeshBoundary TYPE(particle), POINTER:: newElectron TYPE(particle), POINTER:: newIon - SELECT TYPE(bound => edge%boundary%bTypes(part%sp)%obj) + SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj) TYPE IS(boundaryIonization) - mRel = (bound%m0*species(part%sp)%obj%m)*(bound%m0+species(part%sp)%obj%m) + mRel = (bound%m0*part%species%m)*(bound%m0+part%species%m) vRel = SUM(DABS(part%v-bound%v0)) eRel = mRel*vRel**2*5.D-1 @@ -133,7 +133,7 @@ MODULE moduleMeshBoundary ionizationRate = part%weight*bound%n0*bound%crossSection%get(eRel)*vRel !Rounds the number of particles up - ionizationPair = NINT(ionizationRate*bound%effectiveTime/species(bound%sp)%obj%weight) + ionizationPair = NINT(ionizationRate*bound%effectiveTime/bound%species%weight) !Create the new pair of particles DO p = 1, ionizationPair @@ -146,8 +146,8 @@ MODULE moduleMeshBoundary ALLOCATE(newElectron) ALLOCATE(newIon) - newElectron%sp = part%sp - newIon%sp = bound%sp + newElectron%species => part%species + newIon%species => bound%species newElectron%v = v0 + (1.D0 + bound%deltaV*v0/NORM2(v0)) newIon%v = v0 @@ -162,13 +162,13 @@ MODULE moduleMeshBoundary newIon%xi = newElectron%xi newElectron%qm = part%qm - SELECT TYPE(spe => species(bound%sp)%obj) + SELECT TYPE(spe => bound%species) TYPE IS(speciesCharged) newIon%qm = spe%qm END SELECT - newElectron%weight = species(bound%sp)%obj%weight + newElectron%weight = bound%species%weight newIon%weight = newElectron%weight newElectron%n_in = .TRUE. diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 320bdad..2b61c67 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -1,5 +1,6 @@ MODULE moduleBoundary USE moduleTable + USE moduleSpecies !Generic type for boundaries TYPE, PUBLIC:: boundaryGeneric @@ -36,7 +37,7 @@ MODULE moduleBoundary !Ionization boundary TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryIonization REAL(8):: m0, n0, v0(1:3), vTh !Properties of background neutrals. - INTEGER:: sp !Ion species + CLASS(speciesGeneric), POINTER:: species !Ion species TYPE(table1D):: crossSection REAL(8):: effectiveTime REAL(8):: eThreshold @@ -123,7 +124,7 @@ MODULE moduleBoundary boundary%n0 = n0 * Vol_ref boundary%v0 = v0 / v_ref boundary%vTh = DSQRT(kb*T0/m0)/v_ref - boundary%sp = speciesID + boundary%species => species(speciesID)%obj boundary%effectiveTime = effTime / ti_ref CALL boundary%crossSection%init(crossSection) CALL boundary%crossSection%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index a70bfb6..70bef90 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -199,8 +199,8 @@ MODULE moduleCollisions sigmaVrel = self%crossSec%get(eRel)*vRel sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - m_i = species(part_i%sp)%obj%m - m_j = species(part_j%sp)%obj%m + m_i = part_i%species%m + m_j = part_j%species%m !Applies the collision vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) vp = vRel*randomDirectionVHS() @@ -292,11 +292,11 @@ MODULE moduleCollisions sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN !Find which particle is the ionizing electron - IF (part_i%sp == self%electron%sp) THEN + IF (ASSOCIATED(part_i%species, self%electron)) THEN electron => part_i neutral => part_j - ELSEIF(part_j%sp == self%electron%sp) THEN + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN electron => part_j neutral => part_i @@ -314,17 +314,17 @@ MODULE moduleCollisions !Creates a new electron from ionization ALLOCATE(newElectron) - newElectron%sp = electron%sp - newElectron%v = vp_n - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%weight = neutral%weight - newElectron%qm = electron%qm + newElectron%species => electron%species + newElectron%v = vp_n + newElectron%r = neutral%r + newElectron%xi = neutral%xi + newElectron%n_in = .TRUE. + newElectron%vol = neutral%vol + newElectron%weight = neutral%weight + newElectron%qm = electron%qm !Ionize neutral particle - SELECT TYPE(sp => species(neutral%sp)%obj) + SELECT TYPE(sp => neutral%species) TYPE IS(speciesNeutral) CALL sp%ionize(neutral) @@ -421,11 +421,11 @@ MODULE moduleCollisions sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN !Find which particle is the ionizing electron - IF (part_i%sp == self%electron%sp) THEN + IF (ASSOCIATED(part_i%species, self%electron)) THEN electron => part_i ion => part_j - ELSEIF(part_j%sp == self%electron%sp) THEN + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN electron => part_j ion => part_i @@ -442,7 +442,7 @@ MODULE moduleCollisions electron%n_in = .FALSE. !Neutralize ion particle - SELECT TYPE(sp => species(ion%sp)%obj) + SELECT TYPE(sp => ion%species) TYPE IS(speciesCharged) CALL sp%neutralize(ion) @@ -501,7 +501,7 @@ MODULE moduleCollisions sigmaVrel = self%crossSec%get(eRel)*vRel sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - SELECT TYPE(sp => species(part_i%sp)%obj) + SELECT TYPE(sp => part_i%species) TYPE IS (speciesNeutral) !Species i is neutral, ionize particle i CALL sp%ionize(part_i) @@ -512,7 +512,7 @@ MODULE moduleCollisions END SELECT - SELECT TYPE(sp => species(part_j%sp)%obj) + SELECT TYPE(sp => part_j%species) TYPE IS (speciesNeutral) !Species j is neutral, ionize particle j CALL sp%ionize(part_j) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9a2659e..9660aa7 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -1,5 +1,6 @@ !injection of particles MODULE moduleInject + USE moduleSpecies !Generic type for velocity distribution function TYPE, ABSTRACT:: velDistGeneric @@ -51,7 +52,7 @@ MODULE moduleInject REAL(8):: T(1:3) !Temperature REAL(8):: n(1:3) !Direction of injection INTEGER:: nParticles !Number of particles to introduce each time step - INTEGER:: sp !Species of injection + CLASS(speciesGeneric), POINTER:: species !Species of injection INTEGER:: nEdges INTEGER, ALLOCATABLE:: edges(:) !Array with edges REAL(8), ALLOCATABLE:: cumWeight(:) !Array of cummulative probability @@ -86,11 +87,11 @@ MODULE moduleInject INTEGER:: e, et INTEGER:: phSurface(1:mesh%numEdges) - self%id = i - self%vMod = v/v_ref - self%n = n - self%T = T/T_ref - self%sp = sp + self%id = i + self%vMod = v/v_ref + self%n = n + self%T = T/T_ref + self%species => species(sp)%obj SELECT CASE(units) CASE ("sccm") !Standard cubic centimeter per minute @@ -224,14 +225,12 @@ MODULE moduleInject !$OMP SINGLE nMin = SUM(inject(1:(self%id-1))%nParticles) + 1 nMax = nMin + self%nParticles - 1 - !Assign particle type - partInj(nMin:nMax)%sp = self%sp !Assign weight to particle. - partInj(nMin:nMax)%weight = species(self%sp)%obj%weight + partInj(nMin:nMax)%weight = self%species%weight !Particle is considered to be outside the domain partInj(nMin:nMax)%n_in = .FALSE. !Assign charge/mass to charged particle. - SELECT TYPE(sp => species(self%sp)%obj) + SELECT TYPE(sp => self%species) TYPE IS(speciesCharged) partInj(nMin:nMax)%qm = sp%qm @@ -257,6 +256,9 @@ MODULE moduleInject END IF + !Assign particle type + partInj(n)%species => self%species + partInj(n)%v = (/ self%v(1)%obj%randomVel(), & self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) @@ -264,7 +266,7 @@ MODULE moduleInject !Obtain natural coordinates of particle in cell partInj(n)%xi = mesh%vols(partInj(n)%vol)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step - CALL solver%pusher(self%sp)%pushParticle(partInj(n), tauMin) + CALL solver%pusher(self%species%n)%pushParticle(partInj(n), tauMin) !Assign cell to new particle CALL solver%updateParticleCell(partInj(n)) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 61c7117..99d031e 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -283,15 +283,15 @@ MODULE moduleInput !Allocate new particles DO p = 1, nNewPart ALLOCATE(partNew) - partNew%sp = sp - partNew%v(1) = velocity(1) + vTh*randomMaxwellian() - partNew%v(2) = velocity(2) + vTh*randomMaxwellian() - partNew%v(3) = velocity(3) + vTh*randomMaxwellian() - partNew%vol = e - partNew%r = mesh%vols(e)%obj%randPos() - partNew%xi = mesh%vols(e)%obj%phy2log(partNew%r) - partNew%n_in = .TRUE. - partNew%weight = species(sp)%obj%weight + partNew%species => species(sp)%obj + partNew%v(1) = velocity(1) + vTh*randomMaxwellian() + partNew%v(2) = velocity(2) + vTh*randomMaxwellian() + partNew%v(3) = velocity(3) + vTh*randomMaxwellian() + partNew%vol = e + partNew%r = mesh%vols(e)%obj%randPos() + partNew%xi = mesh%vols(e)%obj%phy2log(partNew%r) + partNew%n_in = .TRUE. + partNew%weight = species(sp)%obj%weight !If charged species, add qm to particle SELECT TYPE(sp => species(sp)%obj) TYPE IS (speciesCharged) @@ -442,8 +442,8 @@ MODULE moduleInput !Assign shared parameters for all species CALL config%get(object // '.name', species(i)%obj%name, found) CALL config%get(object // '.weight', species(i)%obj%weight, found) - species(i)%obj%sp = i - species(i)%obj%m = mass + species(i)%obj%n = i + species(i)%obj%m = mass END DO @@ -894,7 +894,7 @@ MODULE moduleInput REAL(8):: v, T, m !Reads species mass - m = species(inj%sp)%obj%m + m = inj%species%m !Reads distribution functions for velocity DO i = 1, 3 WRITE(istring, '(i2)') i diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 2927e21..b549104 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -154,7 +154,7 @@ MODULE moduleSolver !$OMP DO DO n=1, nPartOld !Select species type - sp = partOld(n)%sp + sp = partOld(n)%species%n !Checks if the species sp is update this iteration IF (solver%pusher(sp)%pushSpecies) THEN !Push particle @@ -722,7 +722,7 @@ MODULE moduleSolver part%weight = part%weight * fractionVolume - fractionWeight = part%weight / species(part%sp)%obj%weight + fractionWeight = part%weight / part%species%weight IF (fractionWeight >= 2.D0) THEN nSplit = FLOOR(fractionWeight) diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index f2904f9..7d89e3b 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -7,7 +7,7 @@ MODULE moduleSpecies TYPE, ABSTRACT:: speciesGeneric CHARACTER(:), ALLOCATABLE:: name REAL(8):: m=0.D0, weight=0.D0 - INTEGER:: sp=0 + INTEGER:: n=0 END TYPE speciesGeneric TYPE, EXTENDS(speciesGeneric):: speciesNeutral @@ -37,7 +37,7 @@ MODULE moduleSpecies TYPE particle REAL(8):: r(1:3) !Position REAL(8):: v(1:3) !Velocity - INTEGER:: sp !Particle species id + CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle INTEGER:: vol !Index of element in which the particle is located REAL(8):: xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain @@ -48,6 +48,7 @@ MODULE moduleSpecies !Number of old particles INTEGER:: nPartOld + !Number of injected particles INTEGER:: nPartInj !Arrays that contain the particles TYPE(particle), ALLOCATABLE, DIMENSION(:), TARGET:: partOld !array of particles from previous iteration @@ -60,15 +61,18 @@ MODULE moduleSpecies CHARACTER(:), ALLOCATABLE:: speciesName INTEGER:: sp - INTEGER:: n + INTEGER:: s sp = 0 - DO n = 1, nSpecies - IF (speciesName == species(n)%obj%name) THEN - sp = species(n)%obj%sp - EXIT + DO s = 1, nSpecies + IF (speciesName == species(s)%obj%name) THEN + sp = species(s)%obj%n + EXIT !If a species is found, exit the loop + END IF + END DO + !If no species is found, call a critical error IF (sp == 0) CALL criticalError('Species ' // speciesName // ' not found.', 'speciesName2Index') @@ -83,7 +87,7 @@ MODULE moduleSpecies TYPE(particle), INTENT(inout):: part IF (ASSOCIATED(self%ion)) THEN - part%sp = self%ion%sp + part%species => self%ion ELSE CALL criticalError('No ion defined for species' // self%name, 'ionizeNeutral') @@ -101,7 +105,7 @@ MODULE moduleSpecies TYPE(particle), INTENT(inout):: part IF (ASSOCIATED(self%ion)) THEN - part%sp = self%ion%sp + part%species => self%ion ELSE CALL criticalError('No ion defined for species' // self%name, 'ionizeCharged') @@ -119,7 +123,7 @@ MODULE moduleSpecies TYPE(particle), INTENT(inout):: part IF (ASSOCIATED(self%neutral)) THEN - part%sp = self%neutral%sp + part%species => self%neutral ELSE CALL criticalError('No neutral defined for species' // self%name, 'neutralizeCharged') From 46348c86ee9c7fb5550803444d9ed76186cc2196 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 28 Mar 2021 16:52:01 +0200 Subject: [PATCH 020/203] Improved some general things using pointers. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 4 +-- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 4 +-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 9 +++-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 8 ++--- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 4 +-- src/modules/mesh/moduleMesh.f90 | 36 ++++++++++++-------- src/modules/mesh/moduleMeshBoundary.f90 | 2 -- src/modules/moduleBoundary.f90 | 16 +++++---- src/modules/moduleInput.f90 | 2 +- 9 files changed, 45 insertions(+), 40 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 46f5a00..34209fa 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -71,7 +71,7 @@ MODULE moduleMesh1DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS PROCEDURE, PASS:: init => initVol1DCartSegm @@ -459,7 +459,7 @@ MODULE moduleMesh1DCart CLASS(meshVol1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement NULLIFY(nextElement) IF (xi(1) < -1.D0) THEN diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 12020c8..9678dff 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -72,7 +72,7 @@ MODULE moduleMesh1DRad !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS PROCEDURE, PASS:: init => initVol1DRadSegm @@ -470,7 +470,7 @@ MODULE moduleMesh1DRad CLASS(meshVol1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement NULLIFY(nextElement) IF (xi(1) < -1.D0) THEN diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index be1f071..d78c663 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -77,7 +77,7 @@ MODULE moduleMesh2DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() REAL(8):: arNodes(1:4) = 0.D0 CONTAINS PROCEDURE, PASS:: init => initVolQuad2DCart @@ -107,7 +107,7 @@ MODULE moduleMesh2DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() REAL(8):: arNodes(1:3) = 0.D0 CONTAINS @@ -607,7 +607,7 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:4) INTEGER:: nextInt @@ -638,7 +638,6 @@ MODULE moduleMesh2DCart INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) REAL(8), DIMENSION(1:3):: r1, r2, r3 - REAL(8):: A !Assign node index self%n = n @@ -950,7 +949,7 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:3) INTEGER:: nextInt diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 4318dff..d5a1432 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -77,7 +77,7 @@ MODULE moduleMesh2DCyl !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() REAL(8):: arNodes(1:4) = 0.D0 CONTAINS @@ -108,7 +108,7 @@ MODULE moduleMesh2DCyl !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() REAL(8):: arNodes(1:3) = 0.D0 CONTAINS @@ -628,7 +628,7 @@ MODULE moduleMesh2DCyl CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:4) INTEGER:: nextInt @@ -979,7 +979,7 @@ MODULE moduleMesh2DCyl CLASS(meshVol2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:3) INTEGER:: nextInt diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index ce7f235..494459a 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -71,7 +71,7 @@ MODULE moduleMesh3DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() !Connectivity to adjacent elements - CLASS(*), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() + CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() CONTAINS PROCEDURE, PASS:: init => initVolTetra3DCart PROCEDURE, PASS:: randPos => randPosVolTetra @@ -579,7 +579,7 @@ MODULE moduleMesh3DCart CLASS(meshVol3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: xiArray(1:4) INTEGER:: nextInt diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9aff9e5..54ff883 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -5,10 +5,16 @@ MODULE moduleMesh USE moduleBoundary IMPLICIT NONE - !Parent of Node element - TYPE, PUBLIC, ABSTRACT:: meshNode - !Node index + !Generic mesh element + TYPE, PUBLIC, ABSTRACT:: meshElement + !Index INTEGER:: n = 0 + CONTAINS + + END TYPE meshElement + + !Parent of Node element + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshNode !Node volume REAL(8):: v = 0.D0 !Output values @@ -44,26 +50,26 @@ MODULE moduleMesh !Containers for nodes in the mesh TYPE:: meshNodeCont CLASS(meshNode), ALLOCATABLE:: obj + CONTAINS END TYPE meshNodeCont !Type for array of boundary functions (one per species) TYPE, PUBLIC:: fBoundaryGeneric PROCEDURE(boundary_interface), POINTER, NOPASS:: apply => NULL() + CONTAINS END TYPE !Parent of Edge element - TYPE, PUBLIC, ABSTRACT:: meshEdge - !Element index - INTEGER:: n = 0 + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshEdge !Connectivity to vols CLASS(meshVol), POINTER:: e1 => NULL(), e2 => NULL() !Normal vector REAL(8):: normal(1:3) !Weight for random injection of particles REAL(8):: weight = 1.D0 - !Pointer to boundary element + !Pointer to boundary type TYPE(boundaryCont), POINTER:: boundary !Array of functions for boundary conditions TYPE(fBoundaryGeneric), ALLOCATABLE:: fBoundary(:) @@ -98,7 +104,7 @@ MODULE moduleMesh END FUNCTION getNodesEdge_interface - !Returns the intersecction between an edge and a line defined by point r0 and vector v0 + !Returns the intersecction between an edge and a line defined by point r0 PURE FUNCTION intersectionEdge_interface(self, r0) RESULT(r) IMPORT:: meshEdge CLASS(meshEdge), INTENT(in):: self @@ -136,9 +142,7 @@ MODULE moduleMesh END TYPE meshEdgeCont !Parent of Volume element - TYPE, PUBLIC, ABSTRACT:: meshVol - !Volume index - INTEGER:: n = 0 + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshVol !Maximum collision rate REAL(8):: sigmaVrelMax = 0.D0 !Volume @@ -211,10 +215,10 @@ MODULE moduleMesh END FUNCTION elemF_interface SUBROUTINE nextElement_interface(self, xi, nextElement) - IMPORT:: meshVol + IMPORT:: meshVol, meshElement CLASS(meshVol), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - CLASS(*), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: nextElement END SUBROUTINE nextElement_interface @@ -343,6 +347,7 @@ MODULE moduleMesh !Find next cell for particle RECURSIVE SUBROUTINE findCell(self, part, oldCell) USE moduleSpecies + USE moduleErrors USE OMP_LIB IMPLICIT NONE @@ -350,7 +355,7 @@ MODULE moduleMesh CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell CLASS(particle), INTENT(inout), TARGET:: part REAL(8):: xi(1:3) - CLASS(*), POINTER:: nextElement + CLASS(meshElement), POINTER:: nextElement xi = self%phy2log(part%r) !Checks if particle is inside 'self' cell @@ -389,7 +394,8 @@ MODULE moduleMesh END IF CLASS DEFAULT - WRITE(*,*) "ERROR, CHECK findCell" + WRITE (*, "(A, I6)") "Element = ", self%n + CALL criticalError("No connectivity found for element", "findCell") END SELECT END IF diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index e89b8f3..4f54e92 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -14,8 +14,6 @@ MODULE moduleMeshBoundary !rpp = final position of particle !vpp = final velocity of particle REAL(8), DIMENSION(1:3):: rp, vpp - REAL(8):: tI - REAL(8):: taup !time step for reflecting process !Reflect particle velocity vpp = part%v - 2.D0*DOT_PRODUCT(part%v, edge%normal)*edge%normal diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 2b61c67..83c815c 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -42,7 +42,6 @@ MODULE moduleBoundary REAL(8):: effectiveTime REAL(8):: eThreshold REAL(8):: deltaV - CONTAINS END TYPE boundaryIonization @@ -53,23 +52,26 @@ MODULE moduleBoundary END TYPE boundaryAxis + !Wrapper for boundary types (one per species) TYPE:: bTypesCont CLASS(boundaryGeneric), ALLOCATABLE:: obj + CONTAINS END TYPE bTypesCont + !Wrapper for boundary conditions TYPE:: boundaryCont - INTEGER:: id = 0 - CHARACTER(:), ALLOCATABLE:: name - INTEGER:: physicalSurface = 0 - CLASS(bTypesCont), ALLOCATABLE:: bTypes(:) + INTEGER:: n = 0 + CHARACTER(:), ALLOCATABLE:: name + INTEGER:: physicalSurface = 0 !Physical surface as defined in the mesh file + CLASS(bTypesCont), ALLOCATABLE:: bTypes(:) !Array for boundary per species CONTAINS END TYPE boundaryCont !Number of boundaries INTEGER:: nBoundary = 0 - !Array for boundary information + !Array for boundaries TYPE(boundaryCont), ALLOCATABLE, TARGET:: boundary(:) CONTAINS @@ -82,7 +84,7 @@ MODULE moduleBoundary id = 0 DO i = 1, nBoundary - IF (physicalSurface == boundary(i)%physicalSurface) id = boundary(i)%id + IF (physicalSurface == boundary(i)%physicalSurface) id = boundary(i)%n END DO diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 99d031e..98933de 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -616,7 +616,7 @@ MODULE moduleInput WRITE(istring, '(i2)') i object = 'boundary(' // TRIM(istring) // ')' - boundary(i)%id = i + boundary(i)%n = i CALL config%get(object // '.name', boundary(i)%name, found) CALL config%get(object // '.physicalSurface', boundary(i)%physicalSurface, found) CALL config%info(object // '.bTypes', found, n_children = nTypes) From 3f91d9e1ede836597525efd36d334655239aaa3c Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 29 Mar 2021 09:45:51 +0200 Subject: [PATCH 021/203] Reading of mesh files has been made independent from geometry and prepared to accept different formats. --- runs/1D_Cathode/inputCart.json | 4 +- runs/1D_Cathode/inputRadEmission.json | 4 +- runs/ALPHIE_Grid/inputBaseCase.json | 76 +++ runs/ALPHIE_Grid/inputIonization_0.10mA.json | 73 ++ runs/Argon_Expansion/CX_case.json | 2 +- runs/Argon_Expansion/elastic_case.json | 2 +- runs/Argon_Expansion/nocoll_case.json | 55 ++ runs/cylFlow/input.json | 2 +- src/makefile | 13 +- src/modules/mesh/1DCart/makefile | 5 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 125 +++- .../mesh/1DCart/moduleMesh1DCartRead.f90 | 264 ------- src/modules/mesh/1DRad/makefile | 5 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 127 +++- .../mesh/1DRad/moduleMesh1DRadRead.f90 | 264 ------- src/modules/mesh/2DCart/makefile | 5 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 475 ++++++++++++- .../mesh/2DCart/moduleMesh2DCartRead.f90 | 620 ----------------- src/modules/mesh/2DCyl/makefile | 5 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 481 ++++++++++++- .../mesh/2DCyl/moduleMesh2DCylRead.f90 | 643 ------------------ src/modules/mesh/3DCart/makefile | 5 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 386 ++++++++++- .../mesh/3DCart/moduleMesh3DCartRead.f90 | 544 --------------- src/modules/mesh/inout/gmsh2/makefile | 7 + .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 295 ++++++++ .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 197 ++++++ src/modules/mesh/inout/makefile | 4 + src/modules/mesh/makefile | 15 +- src/modules/mesh/moduleMesh.f90 | 274 ++------ src/modules/moduleInput.f90 | 75 +- 31 files changed, 2377 insertions(+), 2675 deletions(-) create mode 100644 runs/ALPHIE_Grid/inputBaseCase.json create mode 100644 runs/ALPHIE_Grid/inputIonization_0.10mA.json create mode 100644 runs/Argon_Expansion/nocoll_case.json delete mode 100644 src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 delete mode 100644 src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 delete mode 100644 src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 delete mode 100644 src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 delete mode 100644 src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 create mode 100644 src/modules/mesh/inout/gmsh2/makefile create mode 100644 src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 create mode 100644 src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 create mode 100644 src/modules/mesh/inout/makefile diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 2d1248e..74eb5f7 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -15,8 +15,8 @@ }, "geometry": { "type": "1DCart", - "meshType": "gmsh", - "meshFile": "mesh.msh" + "meshType": "gmsh2", + "meshFile": "mesh.msh" }, "species": [ {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index 012f105..14fb767 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -15,8 +15,8 @@ }, "geometry": { "type": "1DRad", - "meshType": "gmsh", - "meshFile": "mesh.msh" + "meshType": "gmsh2", + "meshFile": "mesh.msh" }, "species": [ {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, diff --git a/runs/ALPHIE_Grid/inputBaseCase.json b/runs/ALPHIE_Grid/inputBaseCase.json new file mode 100644 index 0000000..7cb1ba0 --- /dev/null +++ b/runs/ALPHIE_Grid/inputBaseCase.json @@ -0,0 +1,76 @@ +{ + "output": { + "path": "./runs/ALPHIE_Grid/", + "triggerOutput": 500, + "cpuTime": false, + "numColl": false, + "EMField": true, + "folder": "base_case" + }, + "geometry": { + "type": "2DCyl", + "meshType": "gmsh2", + "meshFile": "mesh.msh" + }, + "species": [ + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} + ], + "boundary": [ + {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ + {"type": "transparent"}, + {"type": "transparent"} + ]}, + {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ + {"type": "transparent"}, + {"type": "transparent"} + ]}, + {"name": "Exterior", "physicalSurface": 3, "bTypes": [ + {"type": "reflection"}, + {"type": "reflection"} + ]}, + {"name": "Grid Extraction", "physicalSurface": 4, "bTypes": [ + {"type": "absorption"}, + {"type": "absorption"} + ]}, + {"name": "Grid Acceleration", "physicalSurface": 5, "bTypes": [ + {"type": "absorption"}, + {"type": "absorption"} + ]}, + {"name": "Axis", "physicalSurface": 6, "bTypes": [ + {"type": "axis"}, + {"type": "axis"} + ]} + ], + "boundaryEM": [ + {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, + {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + ], + "inject": [ + {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, + {"name": "Ionization Electron", "species": "Electron", "flow": 27.0e-6, "units": "A", "v": 87000.0, "T": [ 500.0, 500.0, 500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, + {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} + ], + "reference": { + "density": 1.0e16, + "mass": 9.109e-31, + "temperature": 2500.0, + "radius": 1.88e-10 + }, + "case": { + "tau": [1.0e-9, 1.0e-11], + "time": 1.0e-6, + "pusher": ["2DCylCharged", "2DCylCharged"], + "WeightingScheme": "Volume", + "EMSolver": "Electrostatic" + }, + "parallel": { + "OpenMP":{ + "nThreads": 24 + } + } +} diff --git a/runs/ALPHIE_Grid/inputIonization_0.10mA.json b/runs/ALPHIE_Grid/inputIonization_0.10mA.json new file mode 100644 index 0000000..e7664bd --- /dev/null +++ b/runs/ALPHIE_Grid/inputIonization_0.10mA.json @@ -0,0 +1,73 @@ +{ + "output": { + "path": "./runs/ALPHIE_Grid/", + "triggerOutput": 500, + "cpuTime": false, + "numColl": false, + "EMField": true, + "folder": "ionization_0.10mA" + }, + "geometry": { + "type": "2DCyl", + "meshType": "gmsh2", + "meshFile": "mesh.msh" + }, + "species": [ + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1}, + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e2} + ], + "boundary": [ + {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ + {"type": "transparent"}, + {"type": "ionization", "neutral": {"ion": "Argon+", "mass": 6.633e-26, "density": 1.0e17, "velocity": [323, 0, 0], "temperature": 300}, + "effectiveTime": 5.0e-6,"energyThreshold": 15.76, "crossSection": "./data/collisions/IO_e-Ar.dat"} + ]}, + {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ + {"type": "transparent"}, + {"type": "transparent"} + ]}, + {"name": "Exterior", "physicalSurface": 3, "bTypes": [ + {"type": "reflection"}, + {"type": "reflection"} + ]}, + {"name": "Grid Extraction", "physicalSurface": 4, "bTypes": [ + {"type": "absorption"}, + {"type": "absorption"} + ]}, + {"name": "Grid Acceleration", "physicalSurface": 5, "bTypes": [ + {"type": "absorption"}, + {"type": "absorption"} + ]}, + {"name": "Axis", "physicalSurface": 6, "bTypes": [ + {"type": "axis"}, + {"type": "axis"} + ]} + ], + "boundaryEM": [ + {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, + {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + ], + "inject": [ + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} + ], + "reference": { + "density": 1.0e16, + "mass": 9.109e-31, + "temperature": 2500.0, + "radius": 1.88e-10 + }, + "case": { + "tau": [1.0e-9, 1.0e-11], + "time": 1.0e-6, + "pusher": ["2DCylCharged", "2DCylCharged"], + "WeightingScheme": "Volume", + "EMSolver": "Electrostatic" + }, + "parallel": { + "OpenMP":{ + "nThreads": 24 + } + } +} diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index 21adc6a..463c8af 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -8,7 +8,7 @@ }, "geometry": { "type": "2DCyl", - "meshType": "gmsh", + "meshType": "gmsh2", "meshFile": "mesh.msh" }, "species": [ diff --git a/runs/Argon_Expansion/elastic_case.json b/runs/Argon_Expansion/elastic_case.json index 0a10d86..ac9fcc7 100644 --- a/runs/Argon_Expansion/elastic_case.json +++ b/runs/Argon_Expansion/elastic_case.json @@ -8,7 +8,7 @@ }, "geometry": { "type": "2DCyl", - "meshType": "gmsh", + "meshType": "gmsh2", "meshFile": "mesh.msh" }, "species": [ diff --git a/runs/Argon_Expansion/nocoll_case.json b/runs/Argon_Expansion/nocoll_case.json new file mode 100644 index 0000000..55dceb5 --- /dev/null +++ b/runs/Argon_Expansion/nocoll_case.json @@ -0,0 +1,55 @@ +{ + "output": { + "path": "./runs/Argon_Expansion/", + "triggerOutput": 10, + "cpuTime": false, + "numColl": false, + "folder": "Nocoll_case" + }, + "geometry": { + "type": "2DCyl", + "meshType": "gmsh2", + "meshFile": "mesh.msh" + }, + "species": [ + {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e8, "ion": "Argon+"}, + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "weight": 1.0e8, "charge": 1.0, "neutral": "Argon"} + ], + "boundary": [ + {"name": "Injection", "physicalSurface": 1, "bTypes": [ + {"type": "transparent"}, + {"type": "transparent"} + ]}, + {"name": "Exterior", "physicalSurface": 2, "bTypes": [ + {"type": "transparent"}, + {"type": "transparent"} + ]}, + {"name": "Axis", "physicalSurface": 3, "bTypes": [ + {"type": "axis"}, + {"type": "axis"} + ]} + ], + "inject": [ + {"name": "Exhausts Ar", "species": "Argon", "flow": 0.7, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [1, 0, 0], "physicalSurface": 1}, + {"name": "Exhausts Ar+", "species": "Argon+", "flow": 0.3, "units": "sccm", "v": 40000.0, "T": [300.0, 300.0, 300.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [1, 0, 0], "physicalSurface": 1} + ], + "reference": { + "density": 1.0e19, + "mass": 6.633e-26, + "temperature": 300.0, + "radius": 1.88e-10 + }, + "case": { + "tau": [1.0e-6, 1.0e-6], + "time": 4.0e-3, + "pusher": ["2DCylNeutral", "2DCylNeutral"], + "WeightingScheme": "Volume" + }, + "parallel": { + "OpenMP":{ + "nThreads": 24 + } + } +} diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 6abd1c7..b61af96 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -7,7 +7,7 @@ }, "geometry": { "type": "2DCyl", - "meshType": "gmsh", + "meshType": "gmsh2", "meshFile": "mesh.msh" }, "species": [ diff --git a/src/makefile b/src/makefile index b398134..75795c8 100644 --- a/src/makefile +++ b/src/makefile @@ -3,12 +3,13 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleErrors.o $(OBJDIR)/moduleList.o $(OBJDIR)/moduleOutput.o \ $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ - $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ - $(OBJDIR)/moduleMesh3DCart.o $(OBJDIR)/moduleMesh3DCartRead.o \ - $(OBJDIR)/moduleMesh2DCyl.o $(OBJDIR)/moduleMesh2DCylRead.o \ - $(OBJDIR)/moduleMesh2DCart.o $(OBJDIR)/moduleMesh2DCartRead.o \ - $(OBJDIR)/moduleMesh1DCart.o $(OBJDIR)/moduleMesh1DCartRead.o \ - $(OBJDIR)/moduleMesh1DRad.o $(OBJDIR)/moduleMesh1DRadRead.o + $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ + $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ + $(OBJDIR)/moduleMesh3DCart.o \ + $(OBJDIR)/moduleMesh2DCyl.o \ + $(OBJDIR)/moduleMesh2DCart.o \ + $(OBJDIR)/moduleMesh1DRad.o \ + $(OBJDIR)/moduleMesh1DCart.o all: $(OUTPUT) diff --git a/src/modules/mesh/1DCart/makefile b/src/modules/mesh/1DCart/makefile index e078727..f1045e9 100644 --- a/src/modules/mesh/1DCart/makefile +++ b/src/modules/mesh/1DCart/makefile @@ -1,8 +1,5 @@ -all: moduleMesh1DCart.o moduleMesh1DCartRead.o +all: moduleMesh1DCart.o moduleMesh1DCart.o: moduleMesh1DCart.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh1DCartRead.o: moduleMesh1DCart.o moduleMesh1DCartRead.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 34209fa..12898d5 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -308,27 +308,27 @@ MODULE moduleMesh1DCart END SUBROUTINE partialDerSegm !Computes local stiffness matrix - FUNCTION elemKSegm(self) RESULT(ke) + PURE FUNCTION elemKSegm(self) RESULT(localK) IMPLICIT NONE CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8):: ke(1:2,1:2) + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: Xii(1:3) REAL(8):: dPsi(1:1, 1:2) REAL(8):: invJ(1), detJ INTEGER:: l - ke = 0.D0 + ALLOCATE(localK(1:2,1:2)) + localK = 0.D0 Xii = 0.D0 - DO l = 1, 3 xii(1) = corSeg(l) dPsi = self%dPsi(Xii) detJ = self%detJac(Xii, dPsi) invJ = self%invJac(Xii, dPsi) - ke = ke + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & - wSeg(l)/detJ + localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + wSeg(l)/detJ END DO @@ -522,6 +522,117 @@ MODULE moduleMesh1DCart END FUNCTION invJ1DCart + SUBROUTINE connectMesh1DCart(self) + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numVols + !Connect Vol-Vol + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + END DO + + END SUBROUTINE connectMesh1DCart + + SUBROUTINE connectVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol1DCartSegm) + SELECT TYPE(elemB) + TYPE IS(meshVol1DCartSegm) + CALL connectSegmSegm(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolVol + + SUBROUTINE connectSegmSegm(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA + CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemB + + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n1%n == elemB%n2%n) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END SUBROUTINE connectSegmSegm + + SUBROUTINE connectVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS (meshVol1DCartSegm) + SELECT TYPE(elemB) + CLASS IS(meshEdge1DCart) + CALL connectSegmEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolEdge + + SUBROUTINE connectSegmEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA + CLASS(meshEdge1DCart), INTENT(inout), TARGET:: elemB + + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n2%n == elemB%n1%n) THEN + + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n1%n == elemB%n1%n) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END SUBROUTINE connectSegmEdge END MODULE moduleMesh1DCart diff --git a/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 b/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 deleted file mode 100644 index d69cfdc..0000000 --- a/src/modules/mesh/1DCart/moduleMesh1DCartRead.f90 +++ /dev/null @@ -1,264 +0,0 @@ -MODULE moduleMesh1DCartRead - USE moduleMesh - USE moduleMesh1DCart - - !TODO: make this abstract to allow different mesh formats - TYPE, EXTENDS(meshGeneric):: mesh1DCartGeneric - CONTAINS - PROCEDURE, PASS:: init => init1DCartMesh - PROCEDURE, PASS:: readMesh => readMesh1DCart - - END TYPE - - INTERFACE connected - MODULE PROCEDURE connectedVolVol, connectedVolEdge - - END INTERFACE connected - - CONTAINS - !Init 1D mesh - SUBROUTINE init1DCartMesh(self, meshFormat) - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - CLASS(mesh1DCartGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - SELECT CASE(meshFormat) - CASE ("gmsh") - self%printOutput => printOutputGmsh - self%printColl => printCollGmsh - self%printEM => printEMGmsh - - CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "init1DCart") - - END SELECT - - END SUBROUTINE init1DCartMesh - - !Reads 1D mesh - SUBROUTINE readMesh1DCart(self, filename) - USE moduleBoundary - IMPLICIT NONE - - CLASS(mesh1DCartGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: x - INTEGER:: p(1:2) - INTEGER:: e, et, n, eTemp, elemType, bt - INTEGER:: totalNumElem - INTEGER:: boundaryType - - !Open file mesh - OPEN(10, FILE=TRIM(filename)) - !Skip header - READ(10, *) - READ(10, *) - READ(10, *) - READ(10, *) - !Read number of nodes - READ(10, *) self%numNodes - !Allocate required matrices and vectors - ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 - !Read nodes coordinates. Only relevant for x - DO e = 1, self%numNodes - READ(10, *) n, x - ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/ x, 0.D0, 0.D0 /)) - - END DO - !Skips comments - READ(10, *) - READ(10, *) - !Reads the total number of elements (edges+vol) - READ(10, *) totalNumElem - self%numEdges = 0 - DO e = 1, totalNumElem - READ(10, *) eTemp, elemType - IF (elemType == 15) THEN !15 is physical node in GMSH - self%numEdges = e - - END IF - - END DO - - !Substract the number of edges to the total number of elements - !to obtain the number of volume elements - self%numVols = totalNumelem - self%numEdges - !Allocates arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beginning of reading elements - DO e = 1, totalNumelem - BACKSPACE(10) - - END DO - - !Reads edges - DO e = 1, self%numEdges - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) - - END DO - - !Read and initialize volumes - DO e = 1, self%numVols - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) - - END DO - - CLOSE(10) - - !Build connectivity between elements - DO e = 1, self%numVols - !Connectivity between volumes - DO et = 1, self%numVols - IF (e /= et) THEN - CALL connected(self%vols(e)%obj, self%vols(et)%obj) - - END IF - - END DO - - !Connectivity betwen vols and edges - DO et = 1, self%numEdges - CALL connected(self%vols(e)%obj, self%edges(et)%obj) - - END DO - - !Constructs the global K matrix - CALL constructGlobalK(self%K, self%vols(e)%obj) - - END DO - - END SUBROUTINE readMesh1DCart - - SUBROUTINE connectedVolVol(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS(meshVol1DCartSegm) - SELECT TYPE(elemB) - TYPE IS(meshVol1DCartSegm) - CALL connectedSegmSegm(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolVol - - SUBROUTINE connectedSegmSegm(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemB - - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - END IF - - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n1%n == elemB%n2%n) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END SUBROUTINE connectedSegmSegm - - SUBROUTINE connectedVolEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshEdge), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS (meshVol1DCartSegm) - SELECT TYPE(elemB) - CLASS IS(meshEdge1DCart) - CALL connectedSegmEdge(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolEdge - - SUBROUTINE connectedSegmEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA - CLASS(meshEdge1DCart), INTENT(inout), TARGET:: elemB - - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n2%n == elemB%n1%n) THEN - - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n1%n == elemB%n1%n) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END SUBROUTINE connectedSegmEdge - - SUBROUTINE constructGlobalK(K, elem) - IMPLICIT NONE - - REAL(8), INTENT(inout):: K(1:,1:) - CLASS(meshVol), INTENT(in):: elem - REAL(8):: localK(1:2,1:2) - INTEGER:: i, j - INTEGER:: n(1:2) - - SELECT TYPE(elem) - TYPE IS(meshVol1DCartSegm) - localK = elem%elemK() - n = (/ elem%n1%n, elem%n2%n /) - - CLASS DEFAULT - n = 0 - localK = 0.D0 - - END SELECT - - DO i = 1, 2 - DO j = 1, 2 - K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) - END DO - END DO - - END SUBROUTINE constructGlobalK - -END MODULE moduleMesh1DCartRead diff --git a/src/modules/mesh/1DRad/makefile b/src/modules/mesh/1DRad/makefile index 13e34ab..eeacc76 100644 --- a/src/modules/mesh/1DRad/makefile +++ b/src/modules/mesh/1DRad/makefile @@ -1,8 +1,5 @@ -all: moduleMesh1DRad.o moduleMesh1DRadRead.o +all: moduleMesh1DRad.o moduleMesh1DRad.o: moduleMesh1DRad.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh1DRadRead.o: moduleMesh1DRad.o moduleMesh1DRadRead.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 9678dff..dc47c62 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -312,19 +312,20 @@ MODULE moduleMesh1DRad END SUBROUTINE partialDerRad !Computes local stiffness matrix - PURE FUNCTION elemKRad(self) RESULT(ke) + PURE FUNCTION elemKRad(self) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8):: ke(1:2,1:2) + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: Xii(1:3) REAL(8):: dPsi(1:1, 1:2) REAL(8):: invJ(1), detJ REAL(8):: r, fPsi(1:2) INTEGER:: l - ke = 0.D0 + ALLOCATE(localK(1:2, 1:2)) + localK = 0.D0 Xii = 0.D0 DO l = 1, 3 xii(1) = corSeg(l) @@ -333,13 +334,13 @@ MODULE moduleMesh1DRad invJ = self%invJac(Xii, dPsi) fPsi = self%fPsi(Xii) r = DOT_PRODUCT(fPsi, self%r) - ke = ke + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & - r*wSeg(l)/detJ + localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + r*wSeg(l)/detJ END DO - ke = ke*PI2 + localK = localK*PI2 END FUNCTION elemKRad @@ -532,5 +533,117 @@ MODULE moduleMesh1DRad END FUNCTION invJ1DRad + SUBROUTINE connectMesh1DRad(self) + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numVols + !Connect Vol-Vol + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + END DO + + END SUBROUTINE connectMesh1DRad + + SUBROUTINE connectVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol1DRadSegm) + SELECT TYPE(elemB) + TYPE IS(meshVol1DRadSegm) + CALL connectSegmSegm(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolVol + + SUBROUTINE connectSegmSegm(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA + CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemB + + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n1%n == elemB%n2%n) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END SUBROUTINE connectSegmSegm + + SUBROUTINE connectVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS (meshVol1DRadSegm) + SELECT TYPE(elemB) + CLASS IS(meshEdge1DRad) + CALL connectSegmEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolEdge + + SUBROUTINE connectSegmEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA + CLASS(meshEdge1DRad), INTENT(inout), TARGET:: elemB + + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n2%n == elemB%n1%n) THEN + + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n1%n == elemB%n1%n) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END SUBROUTINE connectSegmEdge + END MODULE moduleMesh1DRad diff --git a/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 b/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 deleted file mode 100644 index 4f14b5f..0000000 --- a/src/modules/mesh/1DRad/moduleMesh1DRadRead.f90 +++ /dev/null @@ -1,264 +0,0 @@ -MODULE moduleMesh1DRadRead - USE moduleMesh - USE moduleMesh1DRad - - !TODO: make this abstract to allow different mesh formats - TYPE, EXTENDS(meshGeneric):: mesh1DRadGeneric - CONTAINS - PROCEDURE, PASS:: init => init1DRadMesh - PROCEDURE, PASS:: readMesh => readMesh1DRad - - END TYPE - - INTERFACE connected - MODULE PROCEDURE connectedVolVol, connectedVolEdge - - END INTERFACE connected - - CONTAINS - !Init 1D mesh - SUBROUTINE init1DRadMesh(self, meshFormat) - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - CLASS(mesh1DRadGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - SELECT CASE(meshFormat) - CASE ("gmsh") - self%printOutput => printOutputGmsh - self%printColl => printCollGmsh - self%printEM => printEMGmsh - - CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "init1DRad") - - END SELECT - - END SUBROUTINE init1DRadMesh - - !Reads 1D mesh - SUBROUTINE readMesh1DRad(self, filename) - USE moduleBoundary - IMPLICIT NONE - - CLASS(mesh1DRadGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: x - INTEGER:: p(1:2) - INTEGER:: e, et, n, eTemp, elemType, bt - INTEGER:: totalNumElem - INTEGER:: boundaryType - - !Open file mesh - OPEN(10, FILE=TRIM(filename)) - !Skip header - READ(10, *) - READ(10, *) - READ(10, *) - READ(10, *) - !Read number of nodes - READ(10, *) self%numNodes - !Allocate required matrices and vectors - ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 - !Read nodes coordinates. Only relevant for x - DO e = 1, self%numNodes - READ(10, *) n, x - ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/ x, 0.D0, 0.D0 /)) - - END DO - !Skips comments - READ(10, *) - READ(10, *) - !Reads the total number of elements (edges+vol) - READ(10, *) totalNumElem - self%numEdges = 0 - DO e = 1, totalNumElem - READ(10, *) eTemp, elemType - IF (elemType == 15) THEN !15 is physical node in GMSH - self%numEdges = e - - END IF - - END DO - - !Substract the number of edges to the total number of elements - !to obtain the number of volume elements - self%numVols = totalNumelem - self%numEdges - !Allocates arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beginning of reading elements - DO e = 1, totalNumelem - BACKSPACE(10) - - END DO - - !Reads edges - DO e = 1, self%numEdges - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) - - END DO - - !Read and initialize volumes - DO e = 1, self%numVols - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) - - END DO - - CLOSE(10) - - !Build connectivity between elements - DO e = 1, self%numVols - !Connectivity between volumes - DO et = 1, self%numVols - IF (e /= et) THEN - CALL connected(self%vols(e)%obj, self%vols(et)%obj) - - END IF - - END DO - - !Connectivity betwen vols and edges - DO et = 1, self%numEdges - CALL connected(self%vols(e)%obj, self%edges(et)%obj) - - END DO - - !Constructs the global K matrix - CALL constructGlobalK(self%K, self%vols(e)%obj) - - END DO - - END SUBROUTINE readMesh1DRad - - SUBROUTINE connectedVolVol(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS(meshVol1DRadSegm) - SELECT TYPE(elemB) - TYPE IS(meshVol1DRadSegm) - CALL connectedSegmSegm(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolVol - - SUBROUTINE connectedSegmSegm(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemB - - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - END IF - - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n1%n == elemB%n2%n) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END SUBROUTINE connectedSegmSegm - - SUBROUTINE connectedVolEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshEdge), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS (meshVol1DRadSegm) - SELECT TYPE(elemB) - CLASS IS(meshEdge1DRad) - CALL connectedSegmEdge(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolEdge - - SUBROUTINE connectedSegmEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA - CLASS(meshEdge1DRad), INTENT(inout), TARGET:: elemB - - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n2%n == elemB%n1%n) THEN - - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n1%n == elemB%n1%n) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END SUBROUTINE connectedSegmEdge - - SUBROUTINE constructGlobalK(K, elem) - IMPLICIT NONE - - REAL(8), INTENT(inout):: K(1:,1:) - CLASS(meshVol), INTENT(in):: elem - REAL(8):: localK(1:2,1:2) - INTEGER:: i, j - INTEGER:: n(1:2) - - SELECT TYPE(elem) - TYPE IS(meshVol1DRadSegm) - localK = elem%elemK() - n = (/ elem%n1%n, elem%n2%n /) - - CLASS DEFAULT - n = 0 - localK = 0.D0 - - END SELECT - - DO i = 1, 2 - DO j = 1, 2 - K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) - END DO - END DO - - END SUBROUTINE constructGlobalK - -END MODULE moduleMesh1DRadRead diff --git a/src/modules/mesh/2DCart/makefile b/src/modules/mesh/2DCart/makefile index 65211cb..06c5288 100644 --- a/src/modules/mesh/2DCart/makefile +++ b/src/modules/mesh/2DCart/makefile @@ -1,8 +1,5 @@ -all : moduleMesh2DCart.o moduleMesh2DCartRead.o +all : moduleMesh2DCart.o moduleMesh2DCart.o: moduleMesh2DCart.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh2DCartRead.o: moduleMesh2DCart.o moduleMesh2DCartRead.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index d78c663..11e6454 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -414,17 +414,18 @@ MODULE moduleMesh2DCart END SUBROUTINE partialDerQuad !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self) RESULT(ke) + PURE FUNCTION elemKQuad(self) RESULT(localK) IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:2,1:4) - REAL(8):: ke(1:4,1:4) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l, m - ke=0.D0 + ALLOCATE(localK(1:4, 1:4)) + localK=0.D0 xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 3 @@ -436,7 +437,7 @@ MODULE moduleMesh2DCart fPsi = self%fPsi(xi) detJ = self%detJac(xi,dPsi) invJ = self%invJac(xi,dPsi) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ END DO END DO @@ -776,27 +777,28 @@ MODULE moduleMesh2DCart END SUBROUTINE partialDerTria !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self) RESULT(ke) + PURE FUNCTION elemKTria(self) RESULT(localK) IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: xi(1:3) REAL(8):: fPsi(1:3), dPsi(1:2,1:3) - REAL(8):: ke(1:3,1:3) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l - ke=0.D0 + ALLOCATE(localK(1:4, 1:4)) + localK=0.D0 xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - fPsi = self%fPsi(xi) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ + xi(1) = xi1Tria(l) + xi(2) = xi2Tria(l) + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + fPsi = self%fPsi(xi) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -1017,4 +1019,449 @@ MODULE moduleMesh2DCart END FUNCTION invJ2DCart + SUBROUTINE connectMesh2DCart(self) + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numVols + !Connect Vol-Vol + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + END DO + + END SUBROUTINE connectMesh2DCart + + !Selects type of elements to build connection + SUBROUTINE connectVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol2DCartQuad) + !Element A is a quadrilateral + SELECT TYPE(elemB) + TYPE IS(meshVol2DCartQuad) + !Element B is a quadrilateral + CALL connectQuadQuad(elemA, elemB) + + TYPE IS(meshVol2DCartTria) + !Element B is a triangle + CALL connectQuadTria(elemA, elemB) + + END SELECT + + TYPE IS(meshVol2DCartTria) + !Element A is a Triangle + SELECT TYPE(elemB) + TYPE IS(meshVol2DCartQuad) + !Element B is a quadrilateral + CALL connectQuadTria(elemB, elemA) + + TYPE IS(meshVol2DCartTria) + !Element B is a triangle + CALL connectTriaTria(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolVol + + SUBROUTINE connectVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemB) + CLASS IS(meshEdge2DCart) + SELECT TYPE(elemA) + TYPE IS(meshVol2DCartQuad) + !Element A is a quadrilateral + CALL connectQuadEdge(elemA, elemB) + + TYPE IS(meshVol2DCartTria) + !Element A is a triangle + CALL connectTriaEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolEdge + + SUBROUTINE connectQuadQuad(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n4%n) THEN + elemA%e2 => elemB + elemB%e4 => elemA + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3) .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4) .AND. & + elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + END IF + + END SUBROUTINE connectQuadQuad + + SUBROUTINE connectQuadTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e4 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + END IF + + END IF + + END SUBROUTINE connectQuadTria + + SUBROUTINE connectTriaTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + END SUBROUTINE connectTriaTria + + SUBROUTINE connectQuadEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + END SUBROUTINE connectQuadEdge + + SUBROUTINE connectTriaEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + END SUBROUTINE connectTriaEdge + END MODULE moduleMesh2DCart diff --git a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 b/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 deleted file mode 100644 index 96664df..0000000 --- a/src/modules/mesh/2DCart/moduleMesh2DCartRead.f90 +++ /dev/null @@ -1,620 +0,0 @@ -MODULE moduleMesh2DCartRead - USE moduleMesh - USE moduleMesh2DCart - - TYPE, EXTENDS(meshGeneric):: mesh2DCartGeneric - CONTAINS - PROCEDURE, PASS:: init => init2DCartMesh - PROCEDURE, PASS:: readMesh => readMesh2DCartGmsh - - END TYPE - - INTERFACE connected - MODULE PROCEDURE connectedVolVol, connectedVolEdge - - END INTERFACE connected - - CONTAINS - !Init mesh - SUBROUTINE init2DCartMesh(self, meshFormat) - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - CLASS(mesh2DCartGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - SELECT CASE(meshFormat) - CASE ("gmsh") - self%printOutput => printOutputGmsh - self%printColl => printCollGmsh - self%printEM => printEMGmsh - - CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "init2DCartMesh") - - END SELECT - - END SUBROUTINE init2DCartMesh - - !Read mesh from gmsh file - SUBROUTINE readMesh2DCartGmsh(self, filename) - USE moduleBoundary - IMPLICIT NONE - - CLASS(mesh2DCartGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: x, y - INTEGER:: p(1:4) - INTEGER:: e=0, et=0, n=0, eTemp=0, elemType=0, bt = 0 - INTEGER:: totalNumElem - INTEGER:: boundaryType - - !Read msh - OPEN(10, FILE=TRIM(filename)) - !Skip header - READ(10, *) - READ(10, *) - READ(10, *) - READ(10, *) - !Read number of nodes - READ(10, *) self%numNodes - !Allocate required matrices and vectors - ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes,1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes,1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 - !Read node cartesian coordinates (x=x, y=y, z=null) - DO e=1, self%numNodes - READ(10, *) n, x, y - ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x, y, 0.D0 /)) - - END DO - !Skips comments - READ(10, *) - READ(10, *) - !Reads Totalnumber of elements - READ(10, *) TotalnumElem - !counts edges and volume elements - self%numEdges = 0 - DO e=1, TotalnumElem - READ(10,*) eTemp, elemType - IF (elemType==1) THEN - self%numEdges=e - END IF - END DO - !Substract the number of edges to the total number of elements - !to obtain the number of volume elements - self%numVols = TotalnumElem - self%numEdges - !Allocates arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beggining to read elements - DO e=1, totalNumElem - BACKSPACE(10) - END DO - - !Reads edges - DO e=1, self%numEdges - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) - - END DO - - !Read and initialize volumes - DO e=1, self%numVols - READ(10,*) n, elemType - BACKSPACE(10) - - SELECT CASE(elemType) - CASE (2) - !Triangular element - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) - - CASE (3) - !Quadrilateral element - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) - - END SELECT - - END DO - - CLOSE(10) - - !Build connectivity between elements - DO e = 1, self%numVols - !Connectivity between volumes - DO et = 1, self%numVols - IF (e /= et) THEN - CALL connected(self%vols(e)%obj, self%vols(et)%obj) - - END IF - END DO - - !Connectivity between vols and edges - DO et = 1, self%numEdges - CALL connected(self%vols(e)%obj, self%edges(et)%obj) - - END DO - - !Constructs the global K matrix - CALL constructGlobalK(self%K, self%vols(e)%obj) - - END DO - - END SUBROUTINE readMesh2DCartGmsh - - !Selects type of elements to build connection - SUBROUTINE connectedVolVol(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS(meshVol2DCartQuad) - !Element A is a quadrilateral - SELECT TYPE(elemB) - TYPE IS(meshVol2DCartQuad) - !Element B is a quadrilateral - CALL connectedQuadQuad(elemA, elemB) - - TYPE IS(meshVol2DCartTria) - !Element B is a triangle - CALL connectedQuadTria(elemA, elemB) - - END SELECT - - TYPE IS(meshVol2DCartTria) - !Element A is a Triangle - SELECT TYPE(elemB) - TYPE IS(meshVol2DCartQuad) - !Element B is a quadrilateral - CALL connectedQuadTria(elemB, elemA) - - TYPE IS(meshVol2DCartTria) - !Element B is a triangle - CALL connectedTriaTria(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolVol - - SUBROUTINE connectedVolEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshEdge), INTENT(inout):: elemB - - SELECT TYPE(elemB) - CLASS IS(meshEdge2DCart) - SELECT TYPE(elemA) - TYPE IS(meshVol2DCartQuad) - !Element A is a quadrilateral - CALL connectedQuadEdge(elemA, elemB) - - TYPE IS(meshVol2DCartTria) - !Element A is a triangle - CALL connectedTriaEdge(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolEdge - - SUBROUTINE connectedQuadQuad(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n4%n) THEN - elemA%e2 => elemB - elemB%e4 => elemA - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3) .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4) .AND. & - elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - END IF - - END SUBROUTINE connectedQuadQuad - - SUBROUTINE connectedQuadTria(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n) THEN - elemA%e2 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n) THEN - elemA%e3 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (elemA%n4%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n3%n) THEN - elemA%e4 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n4%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e4 => elemB - elemB%e1 => elemA - - END IF - - END IF - - END SUBROUTINE connectedQuadTria - - SUBROUTINE connectedTriaTria(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n) THEN - elemA%e2 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - END IF - - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n3%n) THEN - elemA%e3 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - END IF - - - END IF - - END SUBROUTINE connectedTriaTria - - SUBROUTINE connectedQuadEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA - CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (elemA%n4%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n4%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - END SUBROUTINE connectedQuadEdge - - SUBROUTINE connectedTriaEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA - CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - END SUBROUTINE connectedTriaEdge - - SUBROUTINE constructGlobalK(K, elem) - IMPLICIT NONE - - REAL(8), INTENT(inout):: K(1:,1:) - CLASS(meshVol), INTENT(in):: elem - REAL(8), ALLOCATABLE:: localK(:,:) - INTEGER:: nNodes, i, j - INTEGER, ALLOCATABLE:: n(:) - - SELECT TYPE(elem) - TYPE IS(meshVol2DCartQuad) - nNodes = 4 - ALLOCATE(localK(1:nNodes,1:nNodes)) - localK = elem%elemK() - ALLOCATE(n(1:nNodes)) - n = (/ elem%n1%n, elem%n2%n, & - elem%n3%n, elem%n4%n /) - - TYPE IS(meshVol2DCartTria) - nNodes = 3 - ALLOCATE(localK(1:nNodes,1:nNodes)) - localK = elem%elemK() - ALLOCATE(n(1:nNodes)) - n = (/ elem%n1%n, elem%n2%n, elem%n3%n /) - - CLASS DEFAULT - nNodes = 0 - ALLOCATE(localK(1:1, 1:1)) - localK = 0.D0 - ALLOCATE(n(1:1)) - n = 0 - - END SELECT - - DO i = 1, nNodes - DO j = 1, nNodes - K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) - END DO - END DO - - END SUBROUTINE constructGlobalK - -END MODULE moduleMesh2DCartRead diff --git a/src/modules/mesh/2DCyl/makefile b/src/modules/mesh/2DCyl/makefile index ca2d7d1..e03a302 100644 --- a/src/modules/mesh/2DCyl/makefile +++ b/src/modules/mesh/2DCyl/makefile @@ -1,8 +1,5 @@ -all : moduleMesh2DCyl.o moduleMesh2DCylRead.o +all : moduleMesh2DCyl.o moduleMesh2DCyl.o: moduleMesh2DCyl.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh2DCylRead.o: moduleMesh2DCyl.o moduleMesh2DCylRead.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index d5a1432..362380d 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -427,18 +427,19 @@ MODULE moduleMesh2DCyl END FUNCTION randposVolQuad !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self) RESULT(ke) + PURE FUNCTION elemKQuad(self) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshVol2DCylQuad), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: r, xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:2,1:4) - REAL(8):: ke(1:4,1:4) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l, m - ke=0.D0 + ALLOCATE(localK(1:4, 1:4)) + localK=0.D0 xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 3 @@ -451,13 +452,13 @@ MODULE moduleMesh2DCyl detJ = self%detJac(xi,dPsi) invJ = self%invJac(xi,dPsi) r = DOT_PRODUCT(fPsi,self%r) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & MATMUL(invJ,dPsi))* & r*wQuad(l)*wQuad(m)/detJ END DO END DO - ke = ke*PI2 + localK = localK*PI2 END FUNCTION elemKQuad @@ -800,32 +801,33 @@ MODULE moduleMesh2DCyl END SUBROUTINE partialDerTria !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self) RESULT(ke) + PURE FUNCTION elemKTria(self) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshVol2DCylTria), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: r, xi(1:3) REAL(8):: fPsi(1:3), dPsi(1:2,1:3) - REAL(8):: ke(1:3,1:3) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l - ke=0.D0 + ALLOCATE(localK(1:4, 1:4)) + localK=0.D0 xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - fPsi = self%fPsi(xi) - r = DOT_PRODUCT(fPsi,self%r) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ + xi(1) = xi1Tria(l) + xi(2) = xi2Tria(l) + dPsi = self%dPsi(xi) + detJ = self%detJac(xi,dPsi) + invJ = self%invJac(xi,dPsi) + fPsi = self%fPsi(xi) + r = DOT_PRODUCT(fPsi,self%r) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ END DO - ke = ke*PI2 + localK = localK*PI2 END FUNCTION elemKTria @@ -1047,4 +1049,449 @@ MODULE moduleMesh2DCyl END FUNCTION invJ2DCyl + SUBROUTINE connectMesh2DCyl(self) + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numVols + !Connect Vol-Vol + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + END DO + + END SUBROUTINE connectMesh2DCyl + + !Selects type of elements to build connection + SUBROUTINE connectVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol2DCylQuad) + !Element A is a quadrilateral + SELECT TYPE(elemB) + TYPE IS(meshVol2DCylQuad) + !Element B is a quadrilateral + CALL connectQuadQuad(elemA, elemB) + + TYPE IS(meshVol2DCylTria) + !Element B is a triangle + CALL connectQuadTria(elemA, elemB) + + END SELECT + + TYPE IS(meshVol2DCylTria) + !Element A is a Triangle + SELECT TYPE(elemB) + TYPE IS(meshVol2DCylQuad) + !Element B is a quadrilateral + CALL connectQuadTria(elemB, elemA) + + TYPE IS(meshVol2DCylTria) + !Element B is a triangle + CALL connectTriaTria(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolVol + + SUBROUTINE connectVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemB) + CLASS IS(meshEdge2DCyl) + SELECT TYPE(elemA) + TYPE IS(meshVol2DCylQuad) + !Element A is a quadrilateral + CALL connectQuadEdge(elemA, elemB) + + TYPE IS(meshVol2DCylTria) + !Element A is a triangle + CALL connectTriaEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolEdge + + SUBROUTINE connectQuadQuad(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1) .AND. & + elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2) .AND. & + elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n4%n) THEN + elemA%e2 => elemB + elemB%e4 => elemA + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3) .AND. & + elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4) .AND. & + elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + END IF + + END SUBROUTINE connectQuadQuad + + SUBROUTINE connectQuadTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e4 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + END IF + + END IF + + END SUBROUTINE connectQuadTria + + SUBROUTINE connectTriaTria(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + END IF + + + END IF + + END SUBROUTINE connectTriaTria + + SUBROUTINE connectQuadEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + END SUBROUTINE connectQuadEdge + + SUBROUTINE connectTriaEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB + + !Check direction 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + !Check direction 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = - elemB%normal + + END IF + + END IF + + END SUBROUTINE connectTriaEdge + END MODULE moduleMesh2DCyl diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 deleted file mode 100644 index cbe3faf..0000000 --- a/src/modules/mesh/2DCyl/moduleMesh2DCylRead.f90 +++ /dev/null @@ -1,643 +0,0 @@ -MODULE moduleMesh2DCylRead - USE moduleMesh - USE moduleMesh2DCyl - - TYPE, EXTENDS(meshGeneric):: mesh2DCylGeneric - CONTAINS - PROCEDURE, PASS:: init => init2DCylMesh - PROCEDURE, PASS:: readMesh => readMesh2DCylGmsh - - END TYPE - - INTERFACE connected - MODULE PROCEDURE connectedVolVol, connectedVolEdge - - END INTERFACE connected - - CONTAINS - !Init mesh - SUBROUTINE init2DCylMesh(self, meshFormat) - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - CLASS(mesh2DCylGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - SELECT CASE(meshFormat) - CASE ("gmsh") - self%printOutput => printOutputGmsh - self%printColl => printCollGmsh - self%printEM => printEMGmsh - - CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "init2DCylMesh") - - END SELECT - - END SUBROUTINE init2DCylMesh - - !Read mesh from gmsh file - SUBROUTINE readMesh2DCylGmsh(self, filename) - USE moduleBoundary - IMPLICIT NONE - - CLASS(mesh2DCylGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: r, z - INTEGER:: p(1:4) - INTEGER:: e=0, et=0, n=0, eTemp=0, elemType=0, bt = 0 - INTEGER:: totalNumElem - INTEGER:: boundaryType - - !Read msh - OPEN(10, FILE=TRIM(filename)) - !Skip header - READ(10, *) - READ(10, *) - READ(10, *) - READ(10, *) - !Read number of nodes - READ(10, *) self%numNodes - !Allocate required matrices and vectors - ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes,1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes,1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 - !Read nodes cartesian coordinates (x=z, y=r, z=null) - DO e=1, self%numNodes - READ(10, *) n, z, r - ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/z, r, 0.D0 /)) - - END DO - !Skips comments - READ(10, *) - READ(10, *) - !Reads Totalnumber of elements - READ(10, *) TotalnumElem - !counts edges and volume elements - self%numEdges = 0 - DO e=1, TotalnumElem - READ(10,*) eTemp, elemType - IF (elemType==1) THEN - self%numEdges=e - END IF - END DO - !Substract the number of edges to the total number of elements - !to obtain the number of volume elements - self%numVols = TotalnumElem - self%numEdges - !Allocates arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beggining to read elements - DO e=1, totalNumElem - BACKSPACE(10) - END DO - - !Reads edges - DO e=1, self%numEdges - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) - - END DO - - !Read and initialize volumes - DO e=1, self%numVols - READ(10,*) n, elemType - BACKSPACE(10) - - SELECT CASE(elemType) - CASE (2) - !Triangular element - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) - - CASE (3) - !Quadrilateral element - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) - - END SELECT - - END DO - - CLOSE(10) - - !Build connectivity between elements - DO e = 1, self%numVols - !Connectivity between volumes - DO et = 1, self%numVols - IF (e /= et) THEN - CALL connected(self%vols(e)%obj, self%vols(et)%obj) - - END IF - END DO - - !Connectivity between vols and edges - DO et = 1, self%numEdges - CALL connected(self%vols(e)%obj, self%edges(et)%obj) - - END DO - - !Constructs the global K matrix - CALL constructGlobalK(self%K, self%vols(e)%obj) - - END DO - - END SUBROUTINE readMesh2DCylGmsh - - !Selects type of elements to build connection - SUBROUTINE connectedVolVol(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS(meshVol2DCylQuad) - !Element A is a quadrilateral - SELECT TYPE(elemB) - TYPE IS(meshVol2DCylQuad) - !Element B is a quadrilateral - CALL connectedQuadQuad(elemA, elemB) - - TYPE IS(meshVol2DCylTria) - !Element B is a triangle - CALL connectedQuadTria(elemA, elemB) - - END SELECT - - TYPE IS(meshVol2DCylTria) - !Element A is a Triangle - SELECT TYPE(elemB) - TYPE IS(meshVol2DCylQuad) - !Element B is a quadrilateral - CALL connectedQuadTria(elemB, elemA) - - TYPE IS(meshVol2DCylTria) - !Element B is a triangle - CALL connectedTriaTria(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolVol - - SUBROUTINE connectedVolEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshEdge), INTENT(inout):: elemB - - SELECT TYPE(elemB) - CLASS IS(meshEdge2DCyl) - SELECT TYPE(elemA) - TYPE IS(meshVol2DCylQuad) - !Element A is a quadrilateral - CALL connectedQuadEdge(elemA, elemB) - - TYPE IS(meshVol2DCylTria) - !Element A is a triangle - CALL connectedTriaEdge(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolEdge - - PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) - IMPLICIT NONE - - INTEGER, DIMENSION(1:2), INTENT(in):: nodesA, nodesB - LOGICAL:: coincident - INTEGER:: i - - coincident = .FALSE. - DO i = 1, 2 - IF (ANY(nodesA(i) == nodesB)) THEN - coincident = .TRUE. - - ELSE - coincident = .FALSE. - EXIT - - END IF - - END DO - - END FUNCTION coincidentNodes - - - SUBROUTINE connectedQuadQuad(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n4%n) THEN - elemA%e2 => elemB - elemB%e4 => elemA - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3) .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4) .AND. & - elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - END IF - - END SUBROUTINE connectedQuadQuad - - SUBROUTINE connectedQuadTria(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n) THEN - elemA%e2 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n3%n) THEN - elemA%e3 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n3%n == elemB%n3%n .AND. & - elemA%n4%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - END IF - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (elemA%n4%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n3%n) THEN - elemA%e4 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - ELSEIF (elemA%n4%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e4 => elemB - elemB%e1 => elemA - - END IF - - END IF - - END SUBROUTINE connectedQuadTria - - SUBROUTINE connectedTriaTria(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n3%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n3%n) THEN - elemA%e2 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n3%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - END IF - - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n3%n) THEN - elemA%e3 => elemB - elemB%e3 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - END IF - - - END IF - - END SUBROUTINE connectedTriaTria - - SUBROUTINE connectedQuadEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n4%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (elemA%n4%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n4%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - END SUBROUTINE connectedQuadEdge - - SUBROUTINE connectedTriaEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA - CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB - - !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (elemA%n1%n == elemB%n1%n .AND. & - elemA%n2%n == elemB%n2%n) THEN - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n1%n == elemB%n2%n .AND. & - elemA%n2%n == elemB%n1%n) THEN - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n2%n) THEN - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n2%n == elemB%n2%n .AND. & - elemA%n3%n == elemB%n1%n) THEN - elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (elemA%n3%n == elemB%n1%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (elemA%n3%n == elemB%n2%n .AND. & - elemA%n1%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = - elemB%normal - - END IF - - END IF - - END SUBROUTINE connectedTriaEdge - - SUBROUTINE constructGlobalK(K, elem) - IMPLICIT NONE - - REAL(8), INTENT(inout):: K(1:,1:) - CLASS(meshVol), INTENT(in):: elem - REAL(8), ALLOCATABLE:: localK(:,:) - INTEGER:: nNodes, i, j - INTEGER, ALLOCATABLE:: n(:) - - SELECT TYPE(elem) - TYPE IS(meshVol2DCylQuad) - nNodes = 4 - ALLOCATE(localK(1:nNodes,1:nNodes)) - localK = elem%elemK() - ALLOCATE(n(1:nNodes)) - n = (/ elem%n1%n, elem%n2%n, & - elem%n3%n, elem%n4%n /) - - TYPE IS(meshVol2DCylTria) - nNodes = 3 - ALLOCATE(localK(1:nNodes,1:nNodes)) - localK = elem%elemK() - ALLOCATE(n(1:nNodes)) - n = (/ elem%n1%n, elem%n2%n, elem%n3%n /) - - CLASS DEFAULT - nNodes = 0 - ALLOCATE(localK(1:1, 1:1)) - localK = 0.D0 - ALLOCATE(n(1:1)) - n = 0 - - END SELECT - - DO i = 1, nNodes - DO j = 1, nNodes - K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) - END DO - END DO - - END SUBROUTINE constructGlobalK - -END MODULE moduleMesh2DCylRead diff --git a/src/modules/mesh/3DCart/makefile b/src/modules/mesh/3DCart/makefile index 0c77a10..0f23c79 100644 --- a/src/modules/mesh/3DCart/makefile +++ b/src/modules/mesh/3DCart/makefile @@ -1,8 +1,5 @@ -all : moduleMesh3DCart.o moduleMesh3DCartRead.o +all : moduleMesh3DCart.o moduleMesh3DCart.o: moduleMesh3DCart.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleMesh3DCartRead.o: moduleMesh3DCart.o moduleMesh3DCartRead.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 494459a..3e3b970 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -417,23 +417,25 @@ MODULE moduleMesh3DCart END SUBROUTINE partialDerTetra - PURE FUNCTION elemKTetra(self) RESULT(ke) + PURE FUNCTION elemKTetra(self) RESULT(localK) IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) REAL(8):: xii(1:3) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) - REAL(8):: ke(1:4,1:4) REAL(8):: invJ(1:3,1:3), detJ + ALLOCATE(localK(1:4,1:4)) + localK = 0.D0 + xii = 0.D0 !TODO: One point Gauss integral. Upgrade when possible - ke = 0.D0 - xii = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(xii) - detJ = self%detJac(xii, dPsi) - invJ = self%invJac(xii, dPsi) - fPsi = self%fPsi(xii) - ke = ke + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ + xii = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(xii) + detJ = self%detJac(xii, dPsi) + invJ = self%invJac(xii, dPsi) + fPsi = self%fPsi(xii) + localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ END FUNCTION elemKTetra @@ -456,7 +458,7 @@ MODULE moduleMesh3DCart detJ = self%detJac(xii, dPsi) fPsi = self%fPsi(xii) f = DOT_PRODUCT(fPsi, source) - localF = localF + f*fPsi*1.D0*detJ + localF = f*fPsi*1.D0*detJ END FUNCTION elemFTetra @@ -662,5 +664,369 @@ MODULE moduleMesh3DCart END FUNCTION invJ3DCart + !Selects type of elements to build connection + SUBROUTINE connectVolVol(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshVol), INTENT(inout):: elemB + + SELECT TYPE(elemA) + TYPE IS(meshVol3DCartTetra) + !Element A is a tetrahedron + SELECT TYPE(elemB) + TYPE IS(meshVol3DCartTetra) + !Element B is a tetrahedron + CALL connectTetraTetra(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolVol + + SUBROUTINE connectVolEdge(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshEdge), INTENT(inout):: elemB + + SELECT TYPE(elemB) + CLASS IS(meshEdge3DCartTria) + SELECT TYPE(elemA) + TYPE IS(meshVol3DCartTetra) + !Element A is a tetrahedron + CALL connectTetraEdge(elemA, elemB) + + END SELECT + + END SELECT + + END SUBROUTINE connectVolEdge + + SUBROUTINE connectMesh3DCart(self) + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numVols + !Connect Vol-Vol + DO et = 1, self%numVols + IF (e /= et) THEN + CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + + END IF + + END DO + + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + + END DO + + END DO + + END SUBROUTINE connectMesh3DCart + + !Checks if two sets of nodes are coincidend in any order + PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) + IMPLICIT NONE + + INTEGER, DIMENSION(1:3), INTENT(in):: nodesA, nodesB + LOGICAL:: coincident + INTEGER:: i + + coincident = .FALSE. + DO i = 1, 3 + IF (ANY(nodesA(i) == nodesB)) THEN + coincident = .TRUE. + + ELSE + coincident = .FALSE. + EXIT + + END IF + + END DO + + END FUNCTION coincidentNodes + + SUBROUTINE connectTetraTetra(elemA, elemB) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemB + + !Check surface 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN + + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN + + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e1 => elemB + elemB%e4 => elemA + + END IF + + END IF + + !Check surface 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN + + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e2 => elemB + elemB%e4 => elemA + + END IF + + END IF + + !Check surface 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN + + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e3 => elemB + elemB%e2 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN + + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e3 => elemB + elemB%e4 => elemA + + END IF + + END IF + + !Check surface 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN + + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN + + elemA%e4 => elemB + elemB%e3 => elemA + + ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & + (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN + + elemA%e4 => elemB + elemB%e4 => elemA + + END IF + + END IF + + END SUBROUTINE connectTetraTetra + + SUBROUTINE connectTetraEdge(elemA, elemB) + USE moduleMath + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB + INTEGER:: nodesEdge(1:3) + REAL(8), DIMENSION(1:3):: vec1, vec2 + REAL(8):: normVol(1:3) + + nodesEdge = (/ elemB%n1%n, elemB%n2%n, elemB%n3%n /) + + !Check surface 1 + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n3%n/), & + nodesEdge)) THEN + + vec1 = (/ elemA%x(2) - elemA%x(1), & + elemA%y(2) - elemA%y(1), & + elemA%z(2) - elemA%z(1) /) + vec2 = (/ elemA%x(3) - elemA%x(1), & + elemA%y(3) - elemA%y(1), & + elemA%z(3) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) + + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + + elemA%e1 => elemB + elemB%e1 => elemA + + ELSE + + elemA%e1 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF + + END IF + + END IF + + !Check surface 2 + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & + nodesEdge)) THEN + + vec1 = (/ elemA%x(3) - elemA%x(2), & + elemA%y(3) - elemA%y(2), & + elemA%z(3) - elemA%z(2) /) + vec2 = (/ elemA%x(4) - elemA%x(2), & + elemA%y(4) - elemA%y(2), & + elemA%z(4) - elemA%z(2) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) + + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + + elemA%e2 => elemB + elemB%e1 => elemA + + ELSE + + elemA%e2 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF + + END IF + + END IF + + !Check surface 3 + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n4%n/), & + nodesEdge)) THEN + + vec1 = (/ elemA%x(2) - elemA%x(1), & + elemA%y(2) - elemA%y(1), & + elemA%z(2) - elemA%z(1) /) + vec2 = (/ elemA%x(4) - elemA%x(1), & + elemA%y(4) - elemA%y(1), & + elemA%z(4) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) + + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + + elemA%e3 => elemB + elemB%e1 => elemA + + ELSE + + elemA%e3 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF + + END IF + + END IF + + !Check surface 4 + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elema%n4%n/), & + nodesEdge)) THEN + + vec1 = (/ elemA%x(3) - elemA%x(1), & + elemA%y(3) - elemA%y(1), & + elemA%z(3) - elemA%z(1) /) + vec2 = (/ elemA%x(4) - elemA%x(1), & + elemA%y(4) - elemA%y(1), & + elemA%z(4) - elemA%z(1) /) + normVol = crossProduct(vec1, vec2) + normVol = normalize(normVol) + + IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + + elemA%e4 => elemB + elemB%e1 => elemA + + + ELSE + + elemA%e4 => elemB + elemB%e2 => elemA + + !Revers the normal to point inside the domain + elemB%normal = -elemB%normal + + END IF + + END IF + + END IF + + END SUBROUTINE connectTetraEdge + END MODULE moduleMesh3DCart diff --git a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 b/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 deleted file mode 100644 index 01aef8e..0000000 --- a/src/modules/mesh/3DCart/moduleMesh3DCartRead.f90 +++ /dev/null @@ -1,544 +0,0 @@ -MODULE moduleMesh3DCartRead - USE moduleMesh - USE moduleMesh3DCart - - TYPE, EXTENDS(meshGeneric):: mesh3DCartGeneric - CONTAINS - PROCEDURE, PASS:: init => init3DCartMesh - PROCEDURE, PASS:: readMesh => readMesh3DCartGmsh - - END TYPE - - INTERFACE connected - MODULE PROCEDURE connectedVolVol, connectedVolEdge - - END INTERFACE connected - - CONTAINS - !Init mesh - SUBROUTINE init3DCartMesh(self, meshFormat) - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - CLASS(mesh3DCartGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - SELECT CASE(meshFormat) - CASE ("gmsh") - self%printOutput => printOutputGmsh - self%printColl => printCollGmsh - self%printEM => printEMGmsh - - CASE DEFAULT - CALL criticalError("Mesh type " // meshFormat // " not supported.", "init3DCartMesh") - - END SELECT - - END SUBROUTINE init3DCartMesh - - !Read mesh from gmsh file - SUBROUTINE readMesh3DCartGmsh(self, filename) - USE moduleBoundary - IMPLICIT NONE - - CLASS(mesh3DCartGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: x, y, z - INTEGER:: p(1:4) - INTEGER:: e = 0, et = 0, n = 0, eTemp = 0, elemType = 0, bt = 0 - INTEGER:: totalNumElem - INTEGER:: boundaryType - - !Read mesh - OPEN(10, FILE=TRIM(filename)) - !Skip header - READ(10, *) - READ(10, *) - READ(10, *) - READ(10, *) - !Read number of nodes - READ(10, *) self%numNodes - !Allocate required matrices and vectors - ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 - - !Read node cartesian coordinates (x = x, y = y, z = z) - DO e = 1, self%numNodes - READ(10, *) n, x, y, z - ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x, y, z /)) - - END DO - - !Skip comments - READ(10, *) - READ(10, *) - - !Reads total number of elements - READ(10, *) totalNumElem - !conts edges and volume elements - self%numEdges = 0 - DO e = 1, totalNumElem - READ(10, *) eTemp, elemType - IF (elemType == 2) THEN - self%numEdges = e - - END IF - - END DO - - !Substract the number of edges to the total number of elements to obtain the number - !of volume elements - self%numVols = totalNumElem - self%numEdges - - !Allocate required arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beggining to read each specific element - DO e = 1, totalNumElem - BACKSPACE(10) - - END DO - - !Reads surfaces - DO e = 1, self%numEdges - READ(10, *) n, elemType - BACKSPACE(10) - - SELECT CASE(elemType) - CASE(2) - !Triangular surface - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1:3) - bt = getBoundaryID(boundaryType) - - ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:3), bt, boundaryType) - - END SELECT - - END DO - - !Read and initialize volumes - DO e = 1, self%numVols - READ(10, *) n, elemType - BACKSPACE(10) - - SELECT CASE(elemType) - CASE(4) - !Tetrahedron element - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol3DCartTetra:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) - - END SELECT - - END DO - - CLOSE(10) - - !Build connectivy between elements - DO e = 1, self%numVols - !Connectivity between volumes - DO et = 1, self%numVols - IF (e /= et) THEN - CALL connected(self%vols(e)%obj, self%vols(et)%obj) - - END IF - - END DO - - !Connectivity between vols and surfaces - DO et = 1, self%numEdges - CALL connected(self%vols(e)%obj, self%edges(et)%obj) - - END DO - - !Constructs the global K matrix - CALL constructGlobalK(self%K, self%vols(e)%obj) - - END DO - - END SUBROUTINE readMesh3DCartGmsh - - !Selects type of elements to build connection - SUBROUTINE connectedVolVol(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB - - SELECT TYPE(elemA) - TYPE IS(meshVol3DCartTetra) - !Element A is a tetrahedron - SELECT TYPE(elemB) - TYPE IS(meshVol3DCartTetra) - !Element B is a tetrahedron - CALL connectedTetraTetra(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolVol - - - SUBROUTINE connectedVolEdge(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshEdge), INTENT(inout):: elemB - - SELECT TYPE(elemB) - CLASS IS(meshEdge3DCartTria) - SELECT TYPE(elemA) - TYPE IS(meshVol3DCartTetra) - !Element A is a tetrahedron - CALL connectedTetraEdge(elemA, elemB) - - END SELECT - - END SELECT - - END SUBROUTINE connectedVolEdge - - PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) - IMPLICIT NONE - - INTEGER, DIMENSION(1:3), INTENT(in):: nodesA, nodesB - LOGICAL:: coincident - INTEGER:: i - - coincident = .FALSE. - DO i = 1, 3 - IF (ANY(nodesA(i) == nodesB)) THEN - coincident = .TRUE. - - ELSE - coincident = .FALSE. - EXIT - - END IF - - END DO - - END FUNCTION coincidentNodes - - SUBROUTINE connectedTetraTetra(elemA, elemB) - IMPLICIT NONE - - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemB - - !TODO: Try to find a much clear way to do this - - !Check surface 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN - - elemA%e1 => elemB - elemB%e1 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & - (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e1 => elemB - elemB%e2 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN - - elemA%e1 => elemB - elemB%e3 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n3%n/), & - (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e1 => elemB - elemB%e4 => elemA - - END IF - - END IF - - !Check surface 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e2 => elemB - elemB%e2 => elemA - - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN - - elemA%e2 => elemB - elemB%e3 => elemA - - ELSEIF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e2 => elemB - elemB%e4 => elemA - - END IF - - END IF - - !Check surface 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN - - elemA%e3 => elemB - elemB%e1 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & - (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e3 => elemB - elemB%e2 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN - - elemA%e3 => elemB - elemB%e3 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e3 => elemB - elemB%e4 => elemA - - END IF - - END IF - - !Check surface 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n3%n/))) THEN - - elemA%e4 => elemB - elemB%e1 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n2%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e4 => elemB - elemB%e2 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n2%n, elemB%n4%n/))) THEN - - elemA%e4 => elemB - elemB%e3 => elemA - - ELSEIF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elemA%n4%n/), & - (/elemB%n1%n, elemB%n3%n, elemB%n4%n/))) THEN - - elemA%e4 => elemB - elemB%e4 => elemA - - END IF - - END IF - - END SUBROUTINE connectedTetraTetra - - SUBROUTINE connectedTetraEdge(elemA, elemB) - USE moduleMath - IMPLICIT NONE - - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA - CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB - INTEGER:: nodesEdge(1:3) - REAL(8), DIMENSION(1:3):: vec1, vec2 - REAL(8):: normVol(1:3) - - nodesEdge = (/ elemB%n1%n, elemB%n2%n, elemB%n3%n /) - - !Check surface 1 - IF (.NOT. ASSOCIATED(elemA%e1)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n3%n/), & - nodesEdge)) THEN - - vec1 = (/ elemA%x(2) - elemA%x(1), & - elemA%y(2) - elemA%y(1), & - elemA%z(2) - elemA%z(1) /) - vec2 = (/ elemA%x(3) - elemA%x(1), & - elemA%y(3) - elemA%y(1), & - elemA%z(3) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) - - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - - elemA%e1 => elemB - elemB%e1 => elemA - - ELSE - - elemA%e1 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal - - END IF - - END IF - - END IF - - !Check surface 2 - IF (.NOT. ASSOCIATED(elemA%e2)) THEN - IF (coincidentNodes((/elemA%n2%n, elemA%n3%n, elemA%n4%n/), & - nodesEdge)) THEN - - vec1 = (/ elemA%x(3) - elemA%x(2), & - elemA%y(3) - elemA%y(2), & - elemA%z(3) - elemA%z(2) /) - vec2 = (/ elemA%x(4) - elemA%x(2), & - elemA%y(4) - elemA%y(2), & - elemA%z(4) - elemA%z(2) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) - - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - - elemA%e2 => elemB - elemB%e1 => elemA - - ELSE - - elemA%e2 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal - - END IF - - END IF - - END IF - - !Check surface 3 - IF (.NOT. ASSOCIATED(elemA%e3)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n2%n, elema%n4%n/), & - nodesEdge)) THEN - - vec1 = (/ elemA%x(2) - elemA%x(1), & - elemA%y(2) - elemA%y(1), & - elemA%z(2) - elemA%z(1) /) - vec2 = (/ elemA%x(4) - elemA%x(1), & - elemA%y(4) - elemA%y(1), & - elemA%z(4) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) - - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - - elemA%e3 => elemB - elemB%e1 => elemA - - ELSE - - elemA%e3 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal - - END IF - - END IF - - END IF - - !Check surface 4 - IF (.NOT. ASSOCIATED(elemA%e4)) THEN - IF (coincidentNodes((/elemA%n1%n, elemA%n3%n, elema%n4%n/), & - nodesEdge)) THEN - - vec1 = (/ elemA%x(3) - elemA%x(1), & - elemA%y(3) - elemA%y(1), & - elemA%z(3) - elemA%z(1) /) - vec2 = (/ elemA%x(4) - elemA%x(1), & - elemA%y(4) - elemA%y(1), & - elemA%z(4) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) - - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN - - elemA%e4 => elemB - elemB%e1 => elemA - - - ELSE - - elemA%e4 => elemB - elemB%e2 => elemA - - !Revers the normal to point inside the domain - elemB%normal = -elemB%normal - - END IF - - END IF - - END IF - - END SUBROUTINE connectedTetraEdge - - SUBROUTINE constructGlobalK(K, elem) - IMPLICIT NONE - - REAL(8), INTENT(inout):: K(1:, 1:) - CLASS(meshVol), INTENT(in):: elem - REAL(8), ALLOCATABLE:: localK(:,:) - INTEGER:: nNodes, i, j - INTEGER, ALLOCATABLE:: n(:) - - SELECT TYPE(elem) - TYPE IS(meshVol3DCartTetra) - nNodes = 4 - ALLOCATE(localK(1:nNodes,1:nNodes)) - localK = elem%elemK() - ALLOCATE(n(1:nNodes)) - n = (/ elem%n1%n, elem%n2%n, & - elem%n3%n, elem%n4%n /) - - CLASS DEFAULT - nNodes = 0 - ALLOCATE(localK(1:1, 1:1)) - localK = 0.D0 - ALLOCATE(n(1:1)) - n = 0 - - END SELECT - - DO i = 1, nNodes - DO j = 1, nNodes - K(n(i), n(j)) = K(n(i), n(j)) + localK(i, j) - END DO - END DO - - END SUBROUTINE constructGlobalK - -END MODULE moduleMesh3DCartRead diff --git a/src/modules/mesh/inout/gmsh2/makefile b/src/modules/mesh/inout/gmsh2/makefile new file mode 100644 index 0000000..68ad11b --- /dev/null +++ b/src/modules/mesh/inout/gmsh2/makefile @@ -0,0 +1,7 @@ +all: moduleMeshInputGmsh2.o moduleMeshOutputGmsh2.o + +moduleMeshInputGmsh2.o: moduleMeshOutputGmsh2.o moduleMeshInputGmsh2.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 new file mode 100644 index 0000000..7cfdb01 --- /dev/null +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -0,0 +1,295 @@ +MODULE moduleMeshInputGmsh2 + + CONTAINS + !Inits a mesh to use Gmsh2 format + SUBROUTINE initGmsh2(self) + USE moduleMesh + USE moduleMeshOutputGmsh2 + IMPLICIT NONE + + TYPE(meshParticle), INTENT(inout):: self + + self%printOutput => printOutputGmsh2 + self%printColl => printCollGmsh2 + self%printEM => printEMGmsh2 + self%readMesh => readGmsh2 + + END SUBROUTINE initGmsh2 + + !Reads a Gmsh 2 format + SUBROUTINE readGmsh2(self, filename) + USE moduleMesh3DCart + USE moduleMesh2DCyl + USE moduleMesh2DCart + USE moduleMesh1DRad + USE moduleMesh1DCart + USE moduleBoundary + IMPLICIT NONE + + CLASS(meshParticle), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8):: x1, x2, x3 !3 generic coordinates + INTEGER, ALLOCATABLE:: p(:) !Array for nodes + INTEGER:: e = 0, n = 0, eTemp = 0, elemType = 0, bt = 0 + INTEGER:: totalNumElem + INTEGER:: boundaryType + + !Read mesh + OPEN(10, FILE=TRIM(filename)) + + !Skip header + READ(10, *) + READ(10, *) + READ(10, *) + READ(10, *) + + !Read number of nodes + READ(10, *) self%numNodes + + !Allocate required matrices and vectors + ALLOCATE(self%nodes(1:self%numNodes)) + ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + + !Read the nodes information + DO e = 1, self%numNodes + READ(10, *) n, x1, x2, x3 + SELECT CASE(self%geometry) + CASE("3DCart") + ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x1, x2, x3 /)) + + CASE("2DCyl") + ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x1, x2, 0.D0 /)) + + CASE("2DCart") + ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x1, x2, 0.D0 /)) + + CASE("1DRad") + ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x1, 0.D0, 0.D0 /)) + + CASE("1DCart") + ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + CALL self%nodes(n)%obj%init(n, (/x1, 0.D0, 0.D0 /)) + + END SELECT + + END DO + + !Skip comments + READ(10, *) + READ(10, *) + + !Reads total number of elements (no nodes) + READ(10, *) totalNumElem + + !conts edges and volume elements + self%numEdges = 0 + DO e = 1, totalNumElem + READ(10, *) eTemp, elemType + SELECT CASE(self%geometry) + CASE("3DCart") + !Element type 2 is triangle in gmsh + IF (elemType == 2) self%numEdges = e + + CASE("2DCyl","2DCart") + !Element type 1 is segment in Gmsh + IF (elemType == 1) self%numEdges = e + + CASE("1DRad","1DCart") + !Element type 15 is physical point in Gmsh + IF (elemType == 15) self%numEdges = e + + END SELECT + + END DO + !Substract the number of edges to the total number of elements + !to obtain the number of volume elements + self%numVols = TotalnumElem - self%numEdges + !Allocates arrays + ALLOCATE(self%edges(1:self%numEdges)) + ALLOCATE(self%vols(1:self%numVols)) + + !Go back to the beggining to read elements + DO e=1, totalNumElem + BACKSPACE(10) + END DO + + !Reads edges + DO e=1, self%numEdges + !Reads the edge according to the geometry + SELECT CASE(self%geometry) + CASE("3DCart") + READ(10, *) n, elemType, eTemp, boundaryType + BACKSPACE(10) + + !Associate boundary condition procedure. + bt = getBoundaryID(boundaryType) + + SELECT CASE(elemType) + CASE(2) + !Triangular surface + ALLOCATE(p(1:3)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1:3) + + ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:3), bt, boundaryType) + + DEALLOCATE(p) + + END SELECT + + CASE("2DCyl") + ALLOCATE(p(1:2)) + + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) + + DEALLOCATE(p) + + CASE("2DCart") + ALLOCATE(p(1:2)) + + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) + + DEALLOCATE(p) + + CASE("1DRad") + ALLOCATE(p(1:1)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) + + DEALLOCATE(p) + + CASE("1DCart") + ALLOCATE(p(1:1)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + + CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) + + DEALLOCATE(p) + + END SELECT + + END DO + + !Read and initialize volumes + DO e = 1, self%numVols + !Reads the volume according to the geometry + SELECT CASE(self%geometry) + CASE("3DCart") + READ(10, *) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE(4) + !Tetrahedron element + ALLOCATE(p(1:4)) + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol3DCartTetra:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) + + END SELECT + + DEALLOCATE(p) + + CASE("2DCyl") + READ(10,*) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) + + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) + + END SELECT + + DEALLOCATE(p) + + CASE("2DCart") + READ(10,*) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) + + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) + + END SELECT + + DEALLOCATE(p) + + CASE("1DRad") + ALLOCATE(p(1:2)) + + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) + + DEALLOCATE(p) + + CASE("1DCart") + ALLOCATE(p(1:2)) + + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) + CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) + + DEALLOCATE(p) + + END SELECT + + END DO + + END SUBROUTINE readGmsh2 + +END MODULE moduleMeshInputGmsh2 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 new file mode 100644 index 0000000..902206d --- /dev/null +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -0,0 +1,197 @@ +MODULE moduleMeshOutputGmsh2 + + CONTAINS + !Prints the scattered properties of particles into the nodes + SUBROUTINE printOutputGmsh2(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleSpecies + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticle), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: n, i + TYPE(outputFormat):: output(1:self%numNodes) + REAL(8):: time + CHARACTER(:), ALLOCATABLE:: fileName + CHARACTER (LEN=iterationDigits):: tstring + + time = DBLE(t)*tauMin*ti_ref + + DO i = 1, nSpecies + WRITE(tstring, iterationFormat) t + fileName='OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (60, file = path // folder // '/' // fileName) + WRITE(60, "(A)") '$MeshFormat' + WRITE(60, "(A)") '2.2 0 8' + WRITE(60, "(A)") '$EndMeshFormat' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"Density ' // species(i)%obj%name // ' (m^-3)"' + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(60, "(I6,ES20.6E3)") n, output(n)%density + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"Velocity ' // species(i)%obj%name // ' (m/s)"' + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 3 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"Pressure ' // species(i)%obj%name // ' (Pa)"' + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"Temperature ' // species(i)%obj%name // ' (K)"' + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature + END DO + WRITE(60, "(A)") '$EndNodeData' + CLOSE (60) + + END DO + + END SUBROUTINE printOutputGmsh2 + + !Prints the number of collisions into the volumes + SUBROUTINE printCollGmsh2(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleCaseParam + USE moduleCollisions + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticle), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: n + REAL(8):: time + CHARACTER(:), ALLOCATABLE:: fileName + CHARACTER (LEN=iterationDigits):: tstring + + + IF (collOutput) THEN + time = DBLE(t)*tauMin*ti_ref + WRITE(tstring, iterationFormat) t + + fileName='OUTPUT_' // tstring// '_Collisions.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (60, file = path // folder // '/' // fileName) + WRITE(60, "(A)") '$MeshFormat' + WRITE(60, "(A)") '2.2 0 8' + WRITE(60, "(A)") '$EndMeshFormat' + WRITE(60, "(A)") '$ElementData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"Collisions"' + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numVols + DO n=1, self%numVols + WRITE(60, "(I6,I10)") n + self%numEdges, self%vols(n)%obj%nColl + END DO + WRITE(60, "(A)") '$EndElementData' + + CLOSE(60) + + END IF + + END SUBROUTINE printCollGmsh2 + + !Prints the electrostatic EM properties into the nodes and volumes + SUBROUTINE printEMGmsh2(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleCaseParam + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticle), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: n, e + REAL(8):: time + CHARACTER(:), ALLOCATABLE:: fileName + CHARACTER (LEN=iterationDigits):: tstring + REAL(8):: xi(1:3) + + xi = (/ 0.D0, 0.D0, 0.D0 /) + + IF (emOutput) THEN + time = DBLE(t)*tauMin*ti_ref + WRITE(tstring, iterationFormat) t + + fileName='OUTPUT_' // tstring// '_EMField.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (20, file = path // folder // '/' // fileName) + WRITE(20, "(A)") '$MeshFormat' + WRITE(20, "(A)") '2.2 0 8' + WRITE(20, "(A)") '$EndMeshFormat' + WRITE(20, "(A)") '$NodeData' + WRITE(20, "(A)") '1' + WRITE(20, "(A)") '"Potential (V)"' + WRITE(20, *) 1 + WRITE(20, *) time + WRITE(20, *) 3 + WRITE(20, *) t + WRITE(20, *) 1 + WRITE(20, *) self%numNodes + DO n=1, self%numNodes + WRITE(20, *) n, self%nodes(n)%obj%emData%phi*Volt_ref + END DO + WRITE(20, "(A)") '$EndNodeData' + + WRITE(20, "(A)") '$ElementData' + WRITE(20, "(A)") '1' + WRITE(20, "(A)") '"Electric Field (V/m)"' + WRITE(20, *) 1 + WRITE(20, *) time + WRITE(20, *) 3 + WRITE(20, *) t + WRITE(20, *) 3 + WRITE(20, *) self%numVols + DO e=1, self%numVols + WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref + END DO + WRITE(20, "(A)") '$EndElementData' + CLOSE(20) + + END IF + + END SUBROUTINE printEMGmsh2 + +END MODULE moduleMeshOutputGmsh2 diff --git a/src/modules/mesh/inout/makefile b/src/modules/mesh/inout/makefile new file mode 100644 index 0000000..7817608 --- /dev/null +++ b/src/modules/mesh/inout/makefile @@ -0,0 +1,4 @@ +all: gmsh2.o + +gmsh2.o: + $(MAKE) -C gmsh2 all diff --git a/src/modules/mesh/makefile b/src/modules/mesh/makefile index 9849ba9..0adc8f6 100644 --- a/src/modules/mesh/makefile +++ b/src/modules/mesh/makefile @@ -1,18 +1,18 @@ -all: moduleMesh.o moduleMeshBoundary.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o +all: moduleMesh.o moduleMeshBoundary.o inout.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o -3DCart.o: +3DCart.o: moduleMesh.o $(MAKE) -C 3DCart all -2DCyl.o: +2DCyl.o: moduleMesh.o $(MAKE) -C 2DCyl all -2DCart.o: +2DCart.o: moduleMesh.o $(MAKE) -C 2DCart all -1DCart.o: +1DCart.o: moduleMesh.o $(MAKE) -C 1DCart all -1DRad.o: +1DRad.o: moduleMesh.o $(MAKE) -C 1DRad all moduleMesh.o: moduleMesh.f90 @@ -20,3 +20,6 @@ moduleMesh.o: moduleMesh.f90 moduleMeshBoundary.o: moduleMesh.o moduleMeshBoundary.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +inout.o: 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o + $(MAKE) -C inout all diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 54ff883..e80b957 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -163,6 +163,7 @@ MODULE moduleMesh PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos PROCEDURE(scatter_interface), DEFERRED, PASS:: scatter PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF + PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF PROCEDURE, PASS:: findCell PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log @@ -206,6 +207,13 @@ MODULE moduleMesh END FUNCTION getNodesVol_interface + PURE FUNCTION elemK_interface(self) RESULT(localK) + IMPORT:: meshVol + CLASS(meshVol), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) + + END FUNCTION elemK_interface + PURE FUNCTION elemF_interface(self, source) RESULT(localF) IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self @@ -252,8 +260,8 @@ MODULE moduleMesh END TYPE meshVolCont - !Abstract type of mesh - TYPE, PUBLIC, ABSTRACT:: meshGeneric + !Particle mesh + TYPE, PUBLIC:: meshParticle INTEGER:: numEdges, numNodes, numVols !Array of nodes TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) @@ -261,69 +269,71 @@ MODULE moduleMesh TYPE(meshEdgeCont), ALLOCATABLE:: edges(:) !Array of volume elements TYPE(meshVolCont), ALLOCATABLE:: vols(:) + !Geometry of the mesh + CHARACTER(:), ALLOCATABLE:: geometry !Global stiffness matrix REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV - PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() - PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() - PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() + PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() + PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() + PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() + PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() + PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() CONTAINS - PROCEDURE(initMesh_interface), DEFERRED, PASS:: init - PROCEDURE(readMesh_interface), DEFERRED, PASS:: readMesh + PROCEDURE, PASS:: constructGlobalK - END TYPE meshGeneric + END TYPE meshParticle ABSTRACT INTERFACE - !Inits the mesh - SUBROUTINE initMesh_interface(self, meshFormat) - IMPORT meshGeneric - - CLASS(meshGeneric), INTENT(out):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: meshFormat - - END SUBROUTINE initMesh_interface - - !Reads the mesh from a file - SUBROUTINE readMesh_interface(self, filename) - IMPORT meshGeneric - - CLASS(meshGeneric), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - - END SUBROUTINE readMesh_interface - !Prints Species data SUBROUTINE printOutput_interface(self, t) - IMPORT meshGeneric + IMPORT meshParticle - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshParticle), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printOutput_interface !Prints number of collisions SUBROUTINE printColl_interface(self, t) - IMPORT meshGeneric + IMPORT meshParticle - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshParticle), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printColl_interface !Prints EM info SUBROUTINE printEM_interface(self, t) - IMPORT meshGeneric + IMPORT meshParticle - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshParticle), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printEM_interface + !Reads the mesh from a file + SUBROUTINE readMesh_interface(self, filename) + IMPORT meshParticle + + CLASS(meshParticle), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + + END SUBROUTINE readMesh_interface + + SUBROUTINE connectMesh_interface(self) + IMPORT meshParticle + + CLASS(meshParticle), INTENT(inout):: self + + END SUBROUTINE connectMesh_interface + + END INTERFACE - !Generic mesh - CLASS(meshGeneric), ALLOCATABLE, TARGET:: mesh + !Particle mesh + TYPE(meshParticle), TARGET:: mesh CONTAINS !Reset the output of node @@ -467,191 +477,31 @@ MODULE moduleMesh END SUBROUTINE collision - SUBROUTINE printOutputGmsh(self, t) - USE moduleRefParam - USE moduleSpecies - USE moduleOutput + !Constructs the global K matrix + SUBROUTINE constructGlobalK(self) IMPLICIT NONE - CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t - INTEGER:: n, i - TYPE(outputFormat):: output(1:self%numNodes) - REAL(8):: time - CHARACTER(:), ALLOCATABLE:: fileName - CHARACTER (LEN=iterationDigits):: tstring + CLASS(meshParticle), INTENT(inout):: self + INTEGER:: e + INTEGER, ALLOCATABLE:: n(:) + REAL(8), ALLOCATABLE:: localK(:,:) + INTEGER:: nNodes, i, j - time = DBLE(t)*tauMin*ti_ref + DO e = 1, self%numVols + n = self%vols(e)%obj%getNodes() + localK = self%vols(e)%obj%elemK() + nNodes = SIZE(n) + + DO i = 1, nNodes + DO j = 1, nNodes + self%K(n(i), n(j)) = self%K(n(i), n(j)) + localK(i, j) + + END DO - DO i = 1, nSpecies - WRITE(tstring, iterationFormat) t - fileName='OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' - WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Density ' // species(i)%obj%name // ' (m^-3)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes - DO n=1, self%numNodes - CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) - WRITE(60, "(I6,ES20.6E3)") n, output(n)%density END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Velocity ' // species(i)%obj%name // ' (m/s)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 3 - WRITE(60, *) self%numNodes - DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity - END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Pressure ' // species(i)%obj%name // ' (Pa)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes - DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure - END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Temperature ' // species(i)%obj%name // ' (K)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes - DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature - END DO - WRITE(60, "(A)") '$EndNodeData' - CLOSE (60) END DO - END SUBROUTINE printOutputGmsh + END SUBROUTINE constructGlobalK - SUBROUTINE printCollGmsh(self, t) - USE moduleRefParam - USE moduleCaseParam - USE moduleCollisions - USE moduleOutput - IMPLICIT NONE - - CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t - INTEGER:: n - REAL(8):: time - CHARACTER(:), ALLOCATABLE:: fileName - CHARACTER (LEN=iterationDigits):: tstring - - - IF (collOutput) THEN - time = DBLE(t)*tauMin*ti_ref - WRITE(tstring, iterationFormat) t - - fileName='OUTPUT_' // tstring// '_Collisions.msh' - WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$ElementData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Collisions"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numVols - DO n=1, self%numVols - WRITE(60, "(I6,I10)") n + self%numEdges, self%vols(n)%obj%nColl - END DO - WRITE(60, "(A)") '$EndElementData' - - CLOSE(60) - - END IF - - END SUBROUTINE printCollGmsh - - SUBROUTINE printEMGmsh(self, t) - USE moduleRefParam - USE moduleCaseParam - USE moduleOutput - IMPLICIT NONE - - CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t - INTEGER:: n, e - REAL(8):: time - CHARACTER(:), ALLOCATABLE:: fileName - CHARACTER (LEN=iterationDigits):: tstring - REAL(8):: xi(1:3) - - xi = (/ 0.D0, 0.D0, 0.D0 /) - - IF (emOutput) THEN - time = DBLE(t)*tauMin*ti_ref - WRITE(tstring, iterationFormat) t - - fileName='OUTPUT_' // tstring// '_EMField.msh' - WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - OPEN (20, file = path // folder // '/' // fileName) - WRITE(20, "(A)") '$MeshFormat' - WRITE(20, "(A)") '2.2 0 8' - WRITE(20, "(A)") '$EndMeshFormat' - WRITE(20, "(A)") '$NodeData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Potential (V)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 1 - WRITE(20, *) self%numNodes - DO n=1, self%numNodes - WRITE(20, *) n, self%nodes(n)%obj%emData%phi*Volt_ref - END DO - WRITE(20, "(A)") '$EndNodeData' - - WRITE(20, "(A)") '$ElementData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Electric Field (V/m)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 3 - WRITE(20, *) self%numVols - DO e=1, self%numVols - WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref - END DO - WRITE(20, "(A)") '$EndElementData' - CLOSE(20) - - END IF - - END SUBROUTINE printEMGmsh - END MODULE moduleMesh diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 98933de..395d031 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -689,11 +689,12 @@ MODULE moduleInput !Read the geometry (mesh) for the case SUBROUTINE readGeometry(config) USE moduleMesh - USE moduleMesh3DCartRead, ONLY: mesh3DCartGeneric - USE moduleMesh2DCylRead, ONLY: mesh2DCylGeneric - USE moduleMesh2DCartRead, ONLY: mesh2DCartGeneric - USE moduleMesh1DCartRead, ONLY: mesh1DCartGeneric - USE moduleMesh1DRadRead, ONLY: mesh1DRadGeneric + USE moduleMeshInputGmsh2, ONLY: initGmsh2 + USE moduleMesh3DCart, ONLY: connectMesh3DCart + USE moduleMesh2DCyl, ONLY: connectMesh2DCyl + USE moduleMesh2DCart, ONLY: connectMesh2DCart + USE moduleMesh1DRad, ONLY: connectMesh1DRad + USE moduleMesh1DCart, ONLY: connectMesh1DCart USE moduleErrors USE moduleOutput USE json_module @@ -701,45 +702,51 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config LOGICAL:: found - CHARACTER(:), ALLOCATABLE:: geometryType, meshFormat, meshFile + CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile CHARACTER(:), ALLOCATABLE:: fullPath !Selects the type of geometry. - CALL config%get('geometry.type', geometryType, found) - SELECT CASE(geometryType) - CASE ("3DCart") - !Creates a 3D cylindrical mesh - ALLOCATE(mesh3DCartGeneric:: mesh) - - CASE ("2DCyl") - !Creates a 2D cylindrical mesh - ALLOCATE(mesh2DCylGeneric:: mesh) - - CASE ("2DCart") - !Creates a 2D cylindrical mesh - ALLOCATE(mesh2DCartGeneric:: mesh) - - CASE ("1DCart") - !Creates a 1D cartesian mesh - ALLOCATE(mesh1DCartGeneric:: mesh) - - CASE ("1DRad") - !Creates a 1D cartesian mesh - ALLOCATE(mesh1DRadGeneric:: mesh) - - CASE DEFAULT - CALL criticalError("Geometry type " // geometryType // " not supported.", "readGeometry") - - END SELECT + CALL config%get('geometry.type', mesh%geometry, found) !Gets the type of mesh CALL config%get('geometry.meshType', meshFormat, found) - CALL mesh%init(meshFormat) - !Reads the mesh + SELECT CASE(meshFormat) + CASE ("gmsh2") + CALL initGmsh2(mesh) + + CASE DEFAULT + CALL criticalError("Mesh format " // meshFormat // " not recogniced", "readGeometry") + + END SELECT + + !Reads the mesh file CALL config%get('geometry.meshFile', meshFile, found) fullpath = path // meshFile CALL mesh%readMesh(fullPath) + !Creates the connectivity between elements + SELECT CASE(mesh%geometry) + CASE("3DCart") + mesh%connectMesh => connectMesh3DCart + + CASE("2DCyl") + mesh%connectMesh => connectMesh2DCyl + + CASE("2DCart") + mesh%connectMesh => connectMesh2DCart + + CASE("1DRad") + mesh%connectMesh => connectMesh1DRad + + CASE("1DCart") + mesh%connectMesh => connectMesh1DCart + + END SELECT + CALL mesh%connectMesh + + !Builds the K matrix + CALL mesh%constructGlobalK() + END SUBROUTINE readGeometry SUBROUTINE readEMBoundary(config) From 16b86542d47ddd8d19ce75aeff30ddface3cdc26 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 29 Mar 2021 09:49:19 +0200 Subject: [PATCH 022/203] Modified documentation to change input meshFormat from gmsh to gmsh2 in preparation for supporting gmsh v4 in the future. --- doc/user-manual/fpakc_UserManual.pdf | Bin 163741 -> 163776 bytes doc/user-manual/fpakc_UserManual.tex | 5 ++++- 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index c419e5e9dee9e59f289ad5900d3f113b0b592f47..21e1b47fbea43f6399299e6118427761cf4a4e49 100644 GIT binary patch delta 23202 zcma%CWmuGJx0aS}=|(zc7-pD3x&#CiLAtveBpq6%8ziN>Q@W8qSKMo@_qkru?l9Z$Fe~1oBRR#oqjRBZKQfoAE1f&Eu}8;AU1QwLzWXRaN;FxppS*&@4s&@` zjUMzAbaZUWsQe=>R4*O-iudmBcy{)n)oJIZf3W)Zg--h2?p_n<(;b6T_KB$8=QPz- zp|eqT^ATR!jQ$&c)ja%7J$Q;p@JXn-Ieud#M0>P}JgsgqL!eRpHQV?fhCeaAuKIR$ 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z2B-D3cK-Up;1_ESZ6NLzYy9iw0&L(=vT-iH?HH1H(TjIqKqPRAd~xyNCN{&Xe)Z-< z+TGuTaNS(zyR-|&@o= H?QZ=S Date: Sat, 3 Apr 2021 09:20:46 +0200 Subject: [PATCH 023/203] Impliementation of a collision mesh which is independent for the mesh used to scatter particles and compute the EM field. --- runs/Argon_Expansion/CX_case.json | 2 +- runs/cylFlow/input.json | 2 +- src/fpakc.f90 | 12 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 21 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 21 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 34 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 34 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 25 +- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 262 +++++++------- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 20 +- src/modules/mesh/moduleMesh.f90 | 330 +++++++++++++----- src/modules/moduleCollisions.f90 | 1 + src/modules/moduleCompTime.f90 | 13 +- src/modules/moduleInject.f90 | 23 ++ src/modules/moduleInput.f90 | 173 +++++---- src/modules/moduleList.f90 | 2 +- src/modules/moduleOutput.f90 | 2 +- src/modules/moduleSolver.f90 | 26 +- src/modules/moduleSpecies.f90 | 1 + 19 files changed, 636 insertions(+), 368 deletions(-) diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index 463c8af..d382a5d 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -3,7 +3,7 @@ "path": "./runs/Argon_Expansion/", "triggerOutput": 10, "cpuTime": false, - "numColl": false, + "numColl": true, "folder": "CX_case" }, "geometry": { diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index b61af96..77b274c 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -3,7 +3,7 @@ "path": "./runs/cylFlow/", "triggerOutput": 10, "cpuTime": true, - "numColl": false + "numColl": true }, "geometry": { "type": "2DCyl", diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 3e68a77..4028ba9 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -4,6 +4,7 @@ PROGRAM fpakc USE moduleErrors USE moduleInject USE moduleSolver + USE moduleMesh USE moduleCompTime USE moduleCaseParam USE OMP_LIB @@ -67,10 +68,19 @@ PROGRAM fpakc tColl = omp_get_wtime() !$OMP END SINGLE - CALL doCollisions() + IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%doCollisions() !$OMP SINGLE tColl = omp_get_wtime() - tColl + + !Coulomb scattering + tCoul = omp_get_wTime() + !$OMP END SINGLE + + IF (ASSOCIATED(mesh%doCoulomb)) CALL mesh%doCoulomb() + + !$OMP SINGLE + tCoul = omp_get_wTime() - tCoul !Reset particles tReset = omp_get_wtime() diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 12898d5..a6e4248 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -198,18 +198,19 @@ MODULE moduleMesh1DCart !VOLUME FUNCTIONS !SEGMENT FUNCTIONS !Init segment element - SUBROUTINE initVol1DCartSegm(self, n, p) + SUBROUTINE initVol1DCartSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol1DCartSegm), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2 self%n = n - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -525,7 +526,7 @@ MODULE moduleMesh1DCart SUBROUTINE connectMesh1DCart(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et DO e = 1, self%numVols @@ -538,11 +539,15 @@ MODULE moduleMesh1DCart END DO - !Connect Vol-Edge - DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) - END DO + END DO + + END SELECT END DO diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index dc47c62..2bd9d5b 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -200,18 +200,19 @@ MODULE moduleMesh1DRad !VOLUME FUNCTIONS !SEGMENT FUNCTIONS !Init segment element - SUBROUTINE initVol1DRadSegm(self, n, p) + SUBROUTINE initVol1DRadSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol1DRadSegm), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2 self%n = n - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -536,7 +537,7 @@ MODULE moduleMesh1DRad SUBROUTINE connectMesh1DRad(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et DO e = 1, self%numVols @@ -549,11 +550,15 @@ MODULE moduleMesh1DRad END DO - !Connect Vol-Edge - DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) - END DO + END DO + + END SELECT END DO diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 11e6454..89704d6 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -283,20 +283,21 @@ MODULE moduleMesh2DCart !VOLUME FUNCTIONS !QUAD FUNCTIONS !Inits quadrilateral element - SUBROUTINE initVolQuad2DCart(self, n, p) + SUBROUTINE initVolQuad2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 self%n = n - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj - self%n3 => mesh%nodes(p(3))%obj - self%n4 => mesh%nodes(p(4))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj + self%n3 => nodes(p(3))%obj + self%n4 => nodes(p(4))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -631,22 +632,23 @@ MODULE moduleMesh2DCart !TRIA ELEMENT !Init tria element - SUBROUTINE initVolTria2DCart(self, n, p) + SUBROUTINE initVolTria2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3 !Assign node index self%n = n !Assign nodes to element - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj - self%n3 => mesh%nodes(p(3))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj + self%n3 => nodes(p(3))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -1022,7 +1024,7 @@ MODULE moduleMesh2DCart SUBROUTINE connectMesh2DCart(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et DO e = 1, self%numVols @@ -1035,11 +1037,15 @@ MODULE moduleMesh2DCart END DO - !Connect Vol-Edge - DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) - END DO + END DO + + END SELECT END DO diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 362380d..2784414 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -271,20 +271,21 @@ MODULE moduleMesh2DCyl !VOLUME FUNCTIONS !QUAD FUNCTIONS !Inits quadrilateral element - SUBROUTINE initVolQuad2DCyl(self, n, p) + SUBROUTINE initVolQuad2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol2DCylQuad), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 self%n = n - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj - self%n3 => mesh%nodes(p(3))%obj - self%n4 => mesh%nodes(p(4))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj + self%n3 => nodes(p(3))%obj + self%n4 => nodes(p(4))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -652,22 +653,23 @@ MODULE moduleMesh2DCyl !TRIA ELEMENT !Init tria element - SUBROUTINE initVolTria2DCyl(self, n, p) + SUBROUTINE initVolTria2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol2DCylTria), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3 !Assign node index self%n = n !Assign nodes to element - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj - self%n3 => mesh%nodes(p(3))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj + self%n3 => nodes(p(3))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -1052,7 +1054,7 @@ MODULE moduleMesh2DCyl SUBROUTINE connectMesh2DCyl(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et DO e = 1, self%numVols @@ -1065,11 +1067,15 @@ MODULE moduleMesh2DCyl END DO - !Connect Vol-Edge - DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) - END DO + END DO + + END SELECT END DO diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 3e3b970..ad5c65d 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -248,21 +248,22 @@ MODULE moduleMesh3DCart !VOLUME FUNCTIONS !TETRA FUNCTIONS !Inits tetrahedron element - SUBROUTINE initVolTetra3DCart(self, n, p) + SUBROUTINE initVolTetra3DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 !Positions of each node REAL(8):: volNodes(1:4) !Volume of each node self%n = n - self%n1 => mesh%nodes(p(1))%obj - self%n2 => mesh%nodes(p(2))%obj - self%n3 => mesh%nodes(p(3))%obj - self%n4 => mesh%nodes(p(4))%obj + self%n1 => nodes(p(1))%obj + self%n2 => nodes(p(2))%obj + self%n3 => nodes(p(3))%obj + self%n4 => nodes(p(4))%obj !Get element coordinates r1 = self%n1%getCoordinates() r2 = self%n2%getCoordinates() @@ -707,7 +708,7 @@ MODULE moduleMesh3DCart SUBROUTINE connectMesh3DCart(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et DO e = 1, self%numVols @@ -720,11 +721,15 @@ MODULE moduleMesh3DCart END DO - !Connect Vol-Edge - DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Vol-Edge + DO et = 1, self%numEdges + CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) - END DO + END DO + + END SELECT END DO diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 7cfdb01..59d7064 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -7,11 +7,15 @@ MODULE moduleMeshInputGmsh2 USE moduleMeshOutputGmsh2 IMPLICIT NONE - TYPE(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout), TARGET:: self - self%printOutput => printOutputGmsh2 - self%printColl => printCollGmsh2 - self%printEM => printEMGmsh2 + IF (ASSOCIATED(meshForMCC, self)) self%printColl => printCollGmsh2 + SELECT TYPE(self) + TYPE IS(meshParticles) + self%printOutput => printOutputGmsh2 + self%printEM => printEMGmsh2 + + END SELECT self%readMesh => readGmsh2 END SUBROUTINE initGmsh2 @@ -26,12 +30,13 @@ MODULE moduleMeshInputGmsh2 USE moduleBoundary IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - REAL(8):: x1, x2, x3 !3 generic coordinates + REAL(8):: r(1:3) !3 generic coordinates INTEGER, ALLOCATABLE:: p(:) !Array for nodes INTEGER:: e = 0, n = 0, eTemp = 0, elemType = 0, bt = 0 INTEGER:: totalNumElem + INTEGER:: numEdges INTEGER:: boundaryType !Read mesh @@ -48,39 +53,44 @@ MODULE moduleMeshInputGmsh2 !Allocate required matrices and vectors ALLOCATE(self%nodes(1:self%numNodes)) - ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) - ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) - self%K = 0.D0 - self%IPIV = 0 + SELECT TYPE(self) + TYPE IS(meshParticles) + ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + + END SELECT !Read the nodes information DO e = 1, self%numNodes - READ(10, *) n, x1, x2, x3 + READ(10, *) n, r(1), r(2), r(3) SELECT CASE(self%geometry) CASE("3DCart") ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x1, x2, x3 /)) CASE("2DCyl") ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x1, x2, 0.D0 /)) + r(3) = 0.D0 CASE("2DCart") ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x1, x2, 0.D0 /)) + r(3) = 0.D0 CASE("1DRad") ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x1, 0.D0, 0.D0 /)) + r(2:3) = 0.D0 CASE("1DCart") ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) - CALL self%nodes(n)%obj%init(n, (/x1, 0.D0, 0.D0 /)) + r(2:3) = 0.D0 END SELECT + CALL self%nodes(n)%obj%init(n, r) END DO + !Skip comments READ(10, *) READ(10, *) @@ -89,118 +99,116 @@ MODULE moduleMeshInputGmsh2 READ(10, *) totalNumElem !conts edges and volume elements - self%numEdges = 0 - DO e = 1, totalNumElem - READ(10, *) eTemp, elemType - SELECT CASE(self%geometry) - CASE("3DCart") - !Element type 2 is triangle in gmsh - IF (elemType == 2) self%numEdges = e + SELECT TYPE(self) + TYPE IS(meshParticles) + self%numEdges = 0 + DO e = 1, totalNumElem + READ(10, *) eTemp, elemType + SELECT CASE(self%geometry) + CASE("3DCart") + !Element type 2 is triangle in gmsh + IF (elemType == 2) self%numEdges = e - CASE("2DCyl","2DCart") - !Element type 1 is segment in Gmsh - IF (elemType == 1) self%numEdges = e + CASE("2DCyl","2DCart") + !Element type 1 is segment in Gmsh + IF (elemType == 1) self%numEdges = e - CASE("1DRad","1DCart") - !Element type 15 is physical point in Gmsh - IF (elemType == 15) self%numEdges = e - - END SELECT - - END DO - !Substract the number of edges to the total number of elements - !to obtain the number of volume elements - self%numVols = TotalnumElem - self%numEdges - !Allocates arrays - ALLOCATE(self%edges(1:self%numEdges)) - ALLOCATE(self%vols(1:self%numVols)) - - !Go back to the beggining to read elements - DO e=1, totalNumElem - BACKSPACE(10) - END DO - - !Reads edges - DO e=1, self%numEdges - !Reads the edge according to the geometry - SELECT CASE(self%geometry) - CASE("3DCart") - READ(10, *) n, elemType, eTemp, boundaryType - BACKSPACE(10) - - !Associate boundary condition procedure. - bt = getBoundaryID(boundaryType) - - SELECT CASE(elemType) - CASE(2) - !Triangular surface - ALLOCATE(p(1:3)) - - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1:3) - - ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:3), bt, boundaryType) - - DEALLOCATE(p) + CASE("1DRad","1DCart") + !Element type 15 is physical point in Gmsh + IF (elemType == 15) self%numEdges = e END SELECT - CASE("2DCyl") - ALLOCATE(p(1:2)) + END DO - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) + !Substract the number of edges to the total number of elements + !to obtain the number of volume elements + self%numVols = TotalnumElem - self%numEdges + ALLOCATE(self%edges(1:self%numEdges)) + numEdges = self%numEdges - ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + !Go back to the beggining to read elements + DO e=1, totalNumElem + BACKSPACE(10) + END DO - CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) + TYPE IS(meshCollisions) + self%numVols = TotalnumElem + numEdges = 0 + END SELECT + + !Allocates arrays + ALLOCATE(self%vols(1:self%numVols)) + + SELECT TYPE(self) + TYPE IS(meshParticles) + !Reads edges + DO e=1, self%numEdges + !Reads the edge according to the geometry + SELECT CASE(self%geometry) + CASE("3DCart") + READ(10, *) n, elemType, eTemp, boundaryType + BACKSPACE(10) + + !Associate boundary condition procedure. + bt = getBoundaryID(boundaryType) + + SELECT CASE(elemType) + CASE(2) + !Triangular surface + ALLOCATE(p(1:3)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1:3) + + ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) + + END SELECT + + CASE("2DCyl") + ALLOCATE(p(1:2)) + + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + + CASE("2DCart") + ALLOCATE(p(1:2)) + + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + + CASE("1DRad") + ALLOCATE(p(1:1)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) + + CASE("1DCart") + ALLOCATE(p(1:1)) + + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + + END SELECT + + CALL self%edges(e)%obj%init(n, p, bt, boundaryType) DEALLOCATE(p) - CASE("2DCart") - ALLOCATE(p(1:2)) + END DO - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:2), bt, boundaryType) - - DEALLOCATE(p) - - CASE("1DRad") - ALLOCATE(p(1:1)) - - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) - - DEALLOCATE(p) - - CASE("1DCart") - ALLOCATE(p(1:1)) - - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - - ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) - - CALL self%edges(e)%obj%init(n, p(1:1), bt, boundaryType) - - DEALLOCATE(p) - - END SELECT - - END DO + END SELECT !Read and initialize volumes DO e = 1, self%numVols @@ -216,12 +224,9 @@ MODULE moduleMeshInputGmsh2 ALLOCATE(p(1:4)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:4) ALLOCATE(meshVol3DCartTetra:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) END SELECT - DEALLOCATE(p) - CASE("2DCyl") READ(10,*) n, elemType BACKSPACE(10) @@ -232,19 +237,15 @@ MODULE moduleMeshInputGmsh2 ALLOCATE(p(1:3)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) CASE (3) !Quadrilateral element ALLOCATE(p(1:4)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) END SELECT - DEALLOCATE(p) - CASE("2DCart") READ(10,*) n, elemType BACKSPACE(10) @@ -255,41 +256,36 @@ MODULE moduleMeshInputGmsh2 ALLOCATE(p(1:3)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:3)) CASE (3) !Quadrilateral element ALLOCATE(p(1:4)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:4)) END SELECT - DEALLOCATE(p) - CASE("1DRad") ALLOCATE(p(1:2)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) - - DEALLOCATE(p) CASE("1DCart") ALLOCATE(p(1:2)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) - CALL self%vols(e)%obj%init(n - self%numEdges, p(1:2)) - - DEALLOCATE(p) END SELECT + CALL self%vols(e)%obj%init(n - numEdges, p, self%nodes) + DEALLOCATE(p) + END DO + CLOSE(10) + END SUBROUTINE readGmsh2 END MODULE moduleMeshInputGmsh2 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 902206d..bec5449 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -9,7 +9,7 @@ MODULE moduleMeshOutputGmsh2 USE moduleOutput IMPLICIT NONE - CLASS(meshParticle), INTENT(in):: self + CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t INTEGER:: n, i TYPE(outputFormat):: output(1:self%numNodes) @@ -95,13 +95,25 @@ MODULE moduleMeshOutputGmsh2 USE moduleOutput IMPLICIT NONE - CLASS(meshParticle), INTENT(in):: self + CLASS(meshGeneric), INTENT(in):: self + INTEGER:: numEdges INTEGER, INTENT(in):: t INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName CHARACTER (LEN=iterationDigits):: tstring + SELECT TYPE(self) + TYPE IS(meshParticles) + numEdges = self%numEdges + + TYPE IS(meshCollisions) + numEdges = 0 + + CLASS DEFAULT + numEdges = 0 + + END SELECT IF (collOutput) THEN time = DBLE(t)*tauMin*ti_ref @@ -123,7 +135,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, *) 1 WRITE(60, *) self%numVols DO n=1, self%numVols - WRITE(60, "(I6,I10)") n + self%numEdges, self%vols(n)%obj%nColl + WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%nColl END DO WRITE(60, "(A)") '$EndElementData' @@ -141,7 +153,7 @@ MODULE moduleMeshOutputGmsh2 USE moduleOutput IMPLICIT NONE - CLASS(meshParticle), INTENT(in):: self + CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t INTEGER:: n, e REAL(8):: time diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index e80b957..93c53d4 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -65,6 +65,8 @@ MODULE moduleMesh TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshEdge !Connectivity to vols CLASS(meshVol), POINTER:: e1 => NULL(), e2 => NULL() + !Connectivity to vols in meshColl + CLASS(meshVol), POINTER:: eColl => NULL() !Normal vector REAL(8):: normal(1:3) !Weight for random injection of particles @@ -153,8 +155,6 @@ MODULE moduleMesh INTEGER(KIND=OMP_LOCK_KIND):: lock !Number of collisions per volume INTEGER:: nColl = 0 - !Collisional fraction - REAL(8):: collFrac = 0.D0 !Total weight of particles inside cell REAL(8):: totalWeight = 0.D0 CONTAINS @@ -169,16 +169,17 @@ MODULE moduleMesh PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log PROCEDURE(inside_interface), DEFERRED, NOPASS:: inside PROCEDURE(nextElement_interface), DEFERRED, PASS:: nextElement - PROCEDURE, PASS:: collision END TYPE meshVol ABSTRACT INTERFACE - SUBROUTINE initVol_interface(self, n, p) + SUBROUTINE initVol_interface(self, n, p, nodes) IMPORT:: meshVol + IMPORT meshNodeCont CLASS(meshVol), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) END SUBROUTINE initVol_interface @@ -260,80 +261,143 @@ MODULE moduleMesh END TYPE meshVolCont - !Particle mesh - TYPE, PUBLIC:: meshParticle - INTEGER:: numEdges, numNodes, numVols - !Array of nodes - TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) - !Array of boundary elements - TYPE(meshEdgeCont), ALLOCATABLE:: edges(:) - !Array of volume elements - TYPE(meshVolCont), ALLOCATABLE:: vols(:) + !Generic mesh type + TYPE, ABSTRACT:: meshGeneric !Geometry of the mesh CHARACTER(:), ALLOCATABLE:: geometry + !Number of elements + INTEGER:: numNodes, numVols + !Array of nodes + TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) + !Array of volume elements + TYPE(meshVolCont), ALLOCATABLE:: vols(:) + PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() + PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() + PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() + CONTAINS + PROCEDURE, PASS:: doCollisions + + END TYPE + + ABSTRACT INTERFACE + !Reads the mesh from a file + SUBROUTINE readMesh_interface(self, filename) + IMPORT meshGeneric + + CLASS(meshGeneric), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + + END SUBROUTINE readMesh_interface + + !Connects volume and edges to the mesh + SUBROUTINE connectMesh_interface(self) + IMPORT meshGeneric + + CLASS(meshGeneric), INTENT(inout):: self + + END SUBROUTINE connectMesh_interface + + !Prints number of collisions in each volume + SUBROUTINE printColl_interface(self, t) + IMPORT meshGeneric + + CLASS(meshGeneric), INTENT(in):: self + INTEGER, INTENT(in):: t + + END SUBROUTINE printColl_interface + + END INTERFACE + + !Particle mesh + TYPE, EXTENDS(meshGeneric), PUBLIC:: meshParticles + INTEGER:: numEdges + !Array of boundary elements + TYPE(meshEdgeCont), ALLOCATABLE:: edges(:) !Global stiffness matrix REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() - PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() - PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() - PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() + PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() CONTAINS PROCEDURE, PASS:: constructGlobalK - END TYPE meshParticle + END TYPE meshParticles ABSTRACT INTERFACE + !Perform Coulomb Scattering + SUBROUTINE doCoulomb_interface(self) + IMPORT meshParticles + + CLASS(meshParticles), INTENT(inout):: self + + END SUBROUTINE doCoulomb_interface + !Prints Species data SUBROUTINE printOutput_interface(self, t) - IMPORT meshParticle + IMPORT meshParticles - CLASS(meshParticle), INTENT(in):: self + CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printOutput_interface - !Prints number of collisions - SUBROUTINE printColl_interface(self, t) - IMPORT meshParticle - - CLASS(meshParticle), INTENT(in):: self - INTEGER, INTENT(in):: t - - END SUBROUTINE printColl_interface - !Prints EM info SUBROUTINE printEM_interface(self, t) - IMPORT meshParticle + IMPORT meshParticles - CLASS(meshParticle), INTENT(in):: self + CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printEM_interface - !Reads the mesh from a file - SUBROUTINE readMesh_interface(self, filename) - IMPORT meshParticle - - CLASS(meshParticle), INTENT(inout):: self - CHARACTER(:), ALLOCATABLE, INTENT(in):: filename - - END SUBROUTINE readMesh_interface - - SUBROUTINE connectMesh_interface(self) - IMPORT meshParticle - - CLASS(meshParticle), INTENT(inout):: self - - END SUBROUTINE connectMesh_interface - END INTERFACE - !Particle mesh - TYPE(meshParticle), TARGET:: mesh + TYPE(meshParticles), TARGET:: mesh + + !Collision (MCC) mesh + TYPE, EXTENDS(meshGeneric):: meshCollisions + CONTAINS + + END TYPE meshCollisions + + TYPE(meshCollisions), TARGET:: meshColl + + ABSTRACT INTERFACE + SUBROUTINE readMeshColl_interface(self, filename) + IMPORT meshCollisions + + CLASS(meshCollisions), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + + END SUBROUTINE readMeshColl_interface + + SUBROUTINE connectMeshColl_interface(self) + IMPORT meshParticles + + CLASS(meshParticles), INTENT(inout):: self + + END SUBROUTINE connectMeshColl_interface + + END INTERFACE + + !Pointer to mesh used for MC collisions + CLASS(meshGeneric), POINTER:: meshForMCC => NULL() + + !Procedure to find a volume for a particle in meshColl + PROCEDURE(findCellColl_interface), POINTER:: findCellColl => NULL() + + ABSTRACT INTERFACE + SUBROUTINE findCellColl_interface(part) + USE moduleSpecies + + TYPE(particle), INTENT(inout):: part + + END SUBROUTINE findCellColl_interface + + END INTERFACE CONTAINS !Reset the output of node @@ -362,8 +426,8 @@ MODULE moduleMesh IMPLICIT NONE CLASS(meshVol), INTENT(inout):: self - CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell CLASS(particle), INTENT(inout), TARGET:: part + CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell REAL(8):: xi(1:3) CLASS(meshElement), POINTER:: nextElement @@ -408,12 +472,96 @@ MODULE moduleMesh CALL criticalError("No connectivity found for element", "findCell") END SELECT + END IF END SUBROUTINE findCell + !If Coll and Particle are the same, simply copy the part%vol into part%volColl + SUBROUTINE findCellSameMesh(part) + USE moduleSpecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + + part%volColl = part%vol + + END SUBROUTINE findCellSameMesh + + !TODO: try to combine this with the findCell for a regular mesh + !Find the volume in which particle reside in the mesh for collisions + SUBROUTINE findCellCollMesh(part) + USE moduleSpecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + LOGICAL:: found + CLASS(meshVol), POINTER:: vol + REAL(8), DIMENSION(1:3):: xii + CLASS(meshElement), POINTER:: nextElement + + found = .FALSE. + + vol => meshColl%vols(part%volColl)%obj + DO WHILE(.NOT. found) + xii = vol%phy2log(part%r) + IF (vol%inside(xii)) THEN + part%volColl = vol%n + CALL OMP_SET_LOCK(vol%lock) + CALL vol%listPart_in%add(part) + vol%totalWeight = vol%totalWeight + part%weight + CALL OMP_UNSET_LOCK(vol%lock) + found = .TRUE. + + ELSE + CALL vol%nextElement(xii, nextElement) + SELECT TYPE(nextElement) + CLASS IS(meshVol) + !Try next element + vol => nextElement + + CLASS DEFAULT + !Should never happend, but just in case, stops loops + found = .TRUE. + + END SELECT + + END IF + + END DO + + END SUBROUTINE findCellCollMesh + + !Returns index of volume associated to a position (if any) + !If no voulme is found, returns 0 + !WARNING: This function is slow and should only be used in initialization phase + FUNCTION findCellBrute(self, r) RESULT(nVol) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(in):: self + REAL(8), DIMENSION(1:3), INTENT(in):: r + INTEGER:: nVol + INTEGER:: e + REAL(8), DIMENSION(1:3):: xii + + !Inits RESULT + nVol = 0 + + DO e = 1, self%numVols + xii = self%vols(e)%obj%phy2log(r) + IF(self%vols(e)%obj%inside(xii)) THEN + nVol = self%vols(e)%obj%n + EXIT + + END IF + + END DO + + END FUNCTION findCellBrute + !Computes collisions in element - SUBROUTINE collision(self) + SUBROUTINE doCollisions(self) USE moduleCollisions USE moduleSpecies USE moduleList @@ -421,7 +569,9 @@ MODULE moduleMesh USE moduleRandom IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: self + CLASS(meshGeneric), INTENT(inout), TARGET:: self + INTEGER:: e + CLASS(meshVol), POINTER:: vol INTEGER:: nPart !Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision INTEGER:: rnd !random index @@ -431,57 +581,57 @@ MODULE moduleMesh REAL(8):: sigmaVrelMaxNew TYPE(pointerArray), ALLOCATABLE:: partTemp(:) - nPart = self%listPart_in%amount - !Computes iterations if there is more than one particle in the cell - IF (nPart > 1) THEN - !Probability of collision - pMax = self%totalWeight*self%sigmaVrelMax*tauMin/self%volume + !$OMP DO SCHEDULE(DYNAMIC) + DO e=1, self%numVols + vol => self%vols(e)%obj + nPart = vol%listPart_in%amount + !Computes iterations if there is more than one particle in the cell + IF (nPart > 1) THEN + !Probability of collision + pMax = vol%totalWeight*vol%sigmaVrelMax*tauMin/vol%volume - !Increases the collisional fraction of the cell - self%collFrac = self%collFrac + REAL(nPart)*pMax*0.5D0 - - !Number of collisions in the cell - self%nColl = FLOOR(self%collFrac) + !Number of collisions in the cell + vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) - IF (self%nColl > 0) THEN - !Converts the list of particles to an array for easy access - partTemp = self%listPart_in%convert2Array() - - END IF - - DO n = 1, self%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(self%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - - END DO - - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > self%sigmaVrelMax) THEN - self%sigmaVrelMax = sigmaVrelMaxNew + IF (vol%nColl > 0) THEN + !Converts the list of particles to an array for easy access + partTemp = vol%listPart_in%convert2Array() END IF - !Removes one collision from the collisional fraction - self%collFrac = self%collFrac - 1.D0 - - END DO + DO n = 1, vol%nColl + !Select random numbers + rnd = random(1, nPart) + part_i => partTemp(rnd)%part + rnd = random(1, nPart) + part_j => partTemp(rnd)%part + ij = interactionIndex(part_i%species%n, part_j%species%n) + sigmaVrelMaxNew = 0.D0 + DO k = 1, interactionMatrix(ij)%amount + CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - END IF + END DO - END SUBROUTINE collision + !Update maximum cross section*v_rel per each collision + IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelMaxNew + + END IF + + END DO + + END IF + + END DO + !$OMP END DO + + END SUBROUTINE doCollisions !Constructs the global K matrix SUBROUTINE constructGlobalK(self) IMPLICIT NONE - CLASS(meshParticle), INTENT(inout):: self + CLASS(meshParticles), INTENT(inout):: self INTEGER:: e INTEGER, ALLOCATABLE:: n(:) REAL(8), ALLOCATABLE:: localK(:,:) diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 70bef90..73871ce 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -320,6 +320,7 @@ MODULE moduleCollisions newElectron%xi = neutral%xi newElectron%n_in = .TRUE. newElectron%vol = neutral%vol + newElectron%volColl = neutral%volColl newElectron%weight = neutral%weight newElectron%qm = electron%qm diff --git a/src/modules/moduleCompTime.f90 b/src/modules/moduleCompTime.f90 index 28273ce..d0a6755 100644 --- a/src/modules/moduleCompTime.f90 +++ b/src/modules/moduleCompTime.f90 @@ -1,11 +1,12 @@ !Information to calculate computation time MODULE moduleCompTime - REAL(8):: tStep=0.D0 - REAL(8):: tPush=0.D0 - REAL(8):: tReset=0.D0 - REAL(8):: tColl=0.D0 - REAL(8):: tWeight=0.D0 - REAL(8):: tEMField=0.D0 + REAL(8):: tStep = 0.D0 + REAL(8):: tPush = 0.D0 + REAL(8):: tReset = 0.D0 + REAL(8):: tColl = 0.D0 + REAL(8):: tCoul = 0.D0 + REAL(8):: tWeight = 0.D0 + REAL(8):: tEMField = 0.D0 END MODULE moduleCompTime diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9660aa7..4ce168c 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -86,6 +86,7 @@ MODULE moduleInject CHARACTER(:), ALLOCATABLE, INTENT(in):: units INTEGER:: e, et INTEGER:: phSurface(1:mesh%numEdges) + INTEGER:: nVolColl self%id = i self%vMod = v/v_ref @@ -125,6 +126,27 @@ MODULE moduleInject IF (mesh%edges(e)%obj%physicalSurface == physicalSurface) THEN et = et + 1 self%edges(et) = mesh%edges(e)%obj%n + !Assign connectivity between injection edge and meshColl volume + IF (ASSOCIATED(meshForMCC, meshColl)) THEN + nVolColl = findCellBrute(meshColl, mesh%edges(e)%obj%randPos()) + IF (nVolColl > 0) THEN + mesh%edges(e)%obj%eColl => meshColl%vols(nVolColl)%obj + + ELSE + CALL criticalError("No connection between edge and meshColl", "initInject") + + END IF + + ELSE + IF (ASSOCIATED(mesh%edges(e)%obj%e1)) THEN + mesh%edges(e)%obj%eColl => mesh%edges(e)%obj%e1 + + ELSE + mesh%edges(e)%obj%eColl => mesh%edges(e)%obj%e2 + + END IF + + END IF END IF @@ -255,6 +277,7 @@ MODULE moduleInject CALL criticalError("No Volume associated to edge", 'addParticles') END IF + partInj(n)%volColl = randomEdge%eColl%n !Assign particle type partInj(n)%species => self%species diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 395d031..9d9de19 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -59,7 +59,7 @@ MODULE moduleInput CALL checkStatus(config, "readCase") !Read injection of particles - CALL verboseError('Reading Interactions between species...') + CALL verboseError('Reading injection of particles from boundaries...') CALL readInject(config) CALL checkStatus(config, "readInject") @@ -483,7 +483,6 @@ MODULE moduleInput END DO !Set number of particles to 0 for init state - !TODO: In a future, this should include the particles from init states nPartOld = 0 !Initialize the lock for the non-analogue (NA) list of particles @@ -497,6 +496,7 @@ MODULE moduleInput USE moduleList USE moduleCollisions USE moduleErrors + USE moduleMesh USE OMP_LIB USE json_module IMPLICIT NONE @@ -515,74 +515,98 @@ MODULE moduleInput REAL(8):: energyThreshold, energyBinding CHARACTER(:), ALLOCATABLE:: electron - CALL initInteractionMatrix(interactionMatrix) + !Firstly, checks if the object 'interactions' exists + CALL config%info('interactions', found) + IF (found) THEN + !Checks if MC collisions have been defined + CALL config%info('interactions.collisions', found) + IF (found) THEN + !Checks if a mesh for collisions has been defined + !The mesh will be initialized and reader in readGeometry + CALL config%info('interactions.meshCollisions', found) + IF (found) THEN + !Points meshForMCC to the specific mesh defined + meshForMCC => meshColl - !Path for collision cross-section data files - CALL config%get('interactions.folderCollisions', pathCollisions, found) + ELSE + !Points the meshForMCC pointer to the Particles Mesh + meshForMCC => mesh - !Inits lock for list of particles - CALL OMP_INIT_LOCK(lockCollisions) + END IF - CALL config%info('interactions.collisions', found, n_children = nInteractions) - DO i = 1, nInteractions - WRITE(iString, '(I2)') i - object = 'interactions.collisions(' // TRIM(iString) // ')' - CALL config%get(object // '.species_i', species_i, found) - pt_i = speciesName2Index(species_i) - CALL config%get(object // '.species_j', species_j, found) - pt_j = speciesName2Index(species_j) - CALL config%info(object // '.cTypes', found, n_children = nCollisions) - ij = interactionIndex(pt_i,pt_j) - !Allocates the required number of collisions per each pair of species ij - CALL interactionMatrix(ij)%init(nCollisions) + !Inits the MCC matrix + CALL initInteractionMatrix(interactionMatrix) - DO k = 1, nCollisions - WRITE (kString, '(I2)') k - object = 'interactions.collisions(' // TRIM(iString) // ').cTypes(' // TRIM(kString) // ')' - !Reads the cross section file - CALL config%get(object // '.crossSection', crossSecFile, found) - crossSecFilePath = pathCollisions // crossSecFile - IF (.NOT. found) CALL criticalError('crossSection not found for ' // object, 'readInteractions') - !Reads the type of collision - CALL config%get(object // '.type', cType, found) - !Initialize collision type and reads required additional data - SELECT CASE(cType) - CASE ('elastic') - !Elastic collision - CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + !Path for collision cross-section data files + CALL config%get('interactions.folderCollisions', pathCollisions, found) - CASE ('chargeExchange') - !Resonant charge exchange - CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + !Inits lock for list of particles + CALL OMP_INIT_LOCK(lockCollisions) - CASE ('ionization') - !Electorn impact ionization - CALL config%get(object // '.energyThreshold', energyThreshold, found) - IF (.NOT. found) CALL criticalError('energyThreshold not found for collision' // object, 'readInteractions') - CALL config%get(object // '.electron', electron, found) - IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') - CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyThreshold, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + CALL config%info('interactions.collisions', found, n_children = nInteractions) + DO i = 1, nInteractions + WRITE(iString, '(I2)') i + object = 'interactions.collisions(' // TRIM(iString) // ')' + CALL config%get(object // '.species_i', species_i, found) + pt_i = speciesName2Index(species_i) + CALL config%get(object // '.species_j', species_j, found) + pt_j = speciesName2Index(species_j) + CALL config%info(object // '.cTypes', found, n_children = nCollisions) + ij = interactionIndex(pt_i,pt_j) + !Allocates the required number of collisions per each pair of species ij + CALL interactionMatrix(ij)%init(nCollisions) - CASE ('recombination') - !Electorn impact ionization - CALL config%get(object // '.energyBinding', energyBinding, found) - IF (.NOT. found) CALL criticalError('energyThreshold not found for collision' // object, 'readInteractions') - CALL config%get(object // '.electron', electron, found) - IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') - CALL initBinaryRecombination(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyBinding, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + DO k = 1, nCollisions + WRITE (kString, '(I2)') k + object = 'interactions.collisions(' // TRIM(iString) // ').cTypes(' // TRIM(kString) // ')' + !Reads the cross section file + CALL config%get(object // '.crossSection', crossSecFile, found) + crossSecFilePath = pathCollisions // crossSecFile + IF (.NOT. found) CALL criticalError('crossSection not found for ' // object, 'readInteractions') + !Reads the type of collision + CALL config%get(object // '.type', cType, found) + !Initialize collision type and reads required additional data + SELECT CASE(cType) + CASE ('elastic') + !Elastic collision + CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) - CASE DEFAULT - CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') + CASE ('chargeExchange') + !Resonant charge exchange + CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) - END SELECT + CASE ('ionization') + !Electorn impact ionization + CALL config%get(object // '.energyThreshold', energyThreshold, found) + IF (.NOT. found) CALL criticalError('energyThreshold not found for collision' // object, 'readInteractions') + CALL config%get(object // '.electron', electron, found) + IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') + CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, energyThreshold, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) - END DO + CASE ('recombination') + !Electorn impact ionization + CALL config%get(object // '.energyBinding', energyBinding, found) + IF (.NOT. found) CALL criticalError('energyThreshold not found for collision' // object, 'readInteractions') + CALL config%get(object // '.electron', electron, found) + IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') + CALL initBinaryRecombination(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, energyBinding, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) - END DO + CASE DEFAULT + CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') + + END SELECT + + END DO + + END DO + + END IF + + END IF END SUBROUTINE readInteractions @@ -702,17 +726,23 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config LOGICAL:: found + LOGICAL:: doubleMesh CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile CHARACTER(:), ALLOCATABLE:: fullPath + !Firstly, indicates if a specific mesh for MC collisions is being use + doubleMesh = ASSOCIATED(meshForMCC, meshColl) + !Selects the type of geometry. CALL config%get('geometry.type', mesh%geometry, found) + IF (doubleMesh) meshColl%geometry = mesh%geometry !Gets the type of mesh CALL config%get('geometry.meshType', meshFormat, found) SELECT CASE(meshFormat) CASE ("gmsh2") CALL initGmsh2(mesh) + IF (doubleMesh) CALL initGmsh2(meshColl) CASE DEFAULT CALL criticalError("Mesh format " // meshFormat // " not recogniced", "readGeometry") @@ -723,6 +753,14 @@ MODULE moduleInput CALL config%get('geometry.meshFile', meshFile, found) fullpath = path // meshFile CALL mesh%readMesh(fullPath) + DEALLOCATE(fullPath, meshFile) + IF (doubleMesh) THEN + !Reads the mesh file for collisions + CALL config%get('interactions.meshCollisions', meshFile, found) + fullpath = path // meshFile + CALL meshColl%readMesh(fullPath) + + END IF !Creates the connectivity between elements SELECT CASE(mesh%geometry) @@ -744,9 +782,24 @@ MODULE moduleInput END SELECT CALL mesh%connectMesh - !Builds the K matrix + IF (doubleMesh) THEN + meshColl%connectMesh => mesh%connectMesh + CALL meshColl%connectMesh + + END IF + + !Builds the K matrix for the Particles mesh CALL mesh%constructGlobalK() + !Assign the procedure to find a volume for meshColl + IF (doubleMesh) THEN + findCellColl => findCellCollMesh + + ELSE + findCellColl => findCellSameMesh + + END IF + END SUBROUTINE readGeometry SUBROUTINE readEMBoundary(config) diff --git a/src/modules/moduleList.f90 b/src/modules/moduleList.f90 index c08061a..acdd1de 100644 --- a/src/modules/moduleList.f90 +++ b/src/modules/moduleList.f90 @@ -10,7 +10,7 @@ MODULE moduleList END TYPE lNode TYPE listNode - INTEGER:: amount = 0!TODO: Make private + INTEGER:: amount = 0 TYPE(lNode),POINTER:: head => NULL() TYPE(lNode),POINTER:: tail => NULL() CONTAINS diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 963302d..a9efdc4 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -109,7 +109,7 @@ MODULE moduleOutput END IF - WRITE (20, "(I10, I10, 6(ES20.6E3))") t, nPartOld, tStep, tPush, tReset, tColl, tWeight, tEMField + WRITE (20, "(I10, I10, 7(ES20.6E3))") t, nPartOld, tStep, tPush, tReset, tColl, tCoul, tWeight, tEMField CLOSE(20) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index b549104..089ae71 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -483,21 +483,6 @@ MODULE moduleSolver END SUBROUTINE push1DRadCharged - !Do the collisions in all the cells - SUBROUTINE doCollisions() - USE moduleMesh - IMPLICIT NONE - - INTEGER:: e - - !$OMP DO SCHEDULE(DYNAMIC) - DO e=1, mesh%numVols - CALL mesh%vols(e)%obj%collision() - END DO - !$OMP END DO - - END SUBROUTINE doCollisions - SUBROUTINE doReset() USE moduleSpecies USE moduleMesh @@ -623,6 +608,14 @@ MODULE moduleSolver END DO + !$OMP SECTION + !Erase the list of particles inside the cell in coll mesh + DO e = 1, meshColl%numVols + meshColl%vols(e)%obj%totalWeight = 0.D0 + CALL meshColl%vols(e)%obj%listPart_in%erase() + + END DO + !$OMP END SECTIONS !$OMP SINGLE @@ -788,6 +781,7 @@ MODULE moduleSolver volOld => mesh%vols(part%vol)%obj CALL volOld%findCell(part) + CALL findCellColl(part) volNew => mesh%vols(part%vol)%obj !Call the NA shcme IF (ASSOCIATED(self%weightingScheme)) THEN @@ -831,7 +825,7 @@ MODULE moduleSolver counterOutput=0 CALL mesh%printOutput(t) - CALL mesh%printColl(t) + IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) CALL mesh%printEM(t) WRITE(*, "(5X,A21,I10,A1,I10)") "t/tmax: ", t, "/", tmax WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index 7d89e3b..39c1b20 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -39,6 +39,7 @@ MODULE moduleSpecies REAL(8):: v(1:3) !Velocity CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle INTEGER:: vol !Index of element in which the particle is located + INTEGER:: volColl !Index of element in which the particle is located in the Collision Mesh REAL(8):: xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain REAL(8):: weight=0.D0 !weight of particle From cbcefb06c8c920fe39137677fa9fa8d0a1f06e3d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 5 Apr 2021 09:45:57 +0200 Subject: [PATCH 024/203] Final implementation of a specific mesh for MCC, added a case for cylFlow that used two meshes and the User Manual has been updated. --- doc/user-manual/bibliography.bib | 82 +- doc/user-manual/fpakc_UserManual.pdf | Bin 163776 -> 168123 bytes doc/user-manual/fpakc_UserManual.tex | 188 +- runs/cylFlow/input.json | 4 +- runs/cylFlow/inputDualMesh.json | 64 + runs/cylFlow/mesh.geo | 9 +- runs/cylFlow/mesh.msh | 3750 +++++++++++------------ runs/cylFlow/meshColl.geo | 73 + runs/cylFlow/meshColl.msh | 3974 ++++++++++++++++++++++++ runs/cylFlow/meshSingle.geo | 79 + runs/cylFlow/meshSingle.msh | 4182 ++++++++++++++++++++++++++ src/modules/mesh/moduleMesh.f90 | 53 +- src/modules/moduleMath.f90 | 10 + 13 files changed, 10451 insertions(+), 2017 deletions(-) create mode 100644 runs/cylFlow/inputDualMesh.json create mode 100644 runs/cylFlow/meshColl.geo create mode 100644 runs/cylFlow/meshColl.msh create mode 100644 runs/cylFlow/meshSingle.geo create mode 100644 runs/cylFlow/meshSingle.msh diff --git a/doc/user-manual/bibliography.bib b/doc/user-manual/bibliography.bib index e47b75d..0ef1811 100644 --- a/doc/user-manual/bibliography.bib +++ b/doc/user-manual/bibliography.bib @@ -1,4 +1,4 @@ -% Encoding: UTF-8 +% Encoding: UTF-8 @InProceedings{boris1970relativistic, author = {Boris, Jay P}, @@ -7,38 +7,48 @@ year = {1970}, pages = {3--67}, } - -@Misc{gfortranURL, - author = {GNU Project}, - title = {gfortran - the GNU Fortran compiler}, - howpublished = {\url{https://gcc.gnu.org/wiki/GFortran}}, -} - -@Misc{ifortURL, - author = {Intel\textsuperscript{\textregistered}}, - title = {Intel\textsuperscript{\textregistered} Fortran Compiler}, - howpublished = {\url{https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html}}, -} - -@Misc{openblasURL, - title = {OpenBLAS, an optimized BLAS library}, - howpublished = {\url{https://www.openblas.net/}}, -} - -@Misc{jsonfortranURL, - title = {JSON-Fortran}, - howpublished = {\url{https://github.com/jacobwilliams/json-fortran}}, -} - -@Misc{jsonURL, - title = {JSON, JavaScript Object Notation}, - howpublished = {\url{https://www.json.org/json-en.html}}, -} - -@Misc{gmshURL, - author = {Christophe Geuzaine and Jean-François Remacle}, - title = {Gmsh}, - howpublished = {\url{https://gmsh.info/}}, -} - -@Comment{jabref-meta: databaseType:bibtex;} + +@article{higginson2020corrected, + title={A corrected method for Coulomb scattering in arbitrarily weighted particle-in-cell plasma simulations}, + author={Higginson, Drew Pitney and Holod, Ihor and Link, Anthony}, + journal={Journal of Computational Physics}, + volume={413}, + pages={109450}, + year={2020}, + publisher={Elsevier} +} + +@Misc{gfortranURL, + author = {GNU Project}, + title = {gfortran - the GNU Fortran compiler}, + howpublished = {\url{https://gcc.gnu.org/wiki/GFortran}}, +} + +@Misc{ifortURL, + author = {Intel\textsuperscript{\textregistered}}, + title = {Intel\textsuperscript{\textregistered} Fortran Compiler}, + howpublished = {\url{https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html}}, +} + +@Misc{openblasURL, + title = {OpenBLAS, an optimized BLAS library}, + howpublished = {\url{https://www.openblas.net/}}, +} + +@Misc{jsonfortranURL, + title = {JSON-Fortran}, + howpublished = {\url{https://github.com/jacobwilliams/json-fortran}}, +} + +@Misc{jsonURL, + title = {JSON, JavaScript Object Notation}, + howpublished = {\url{https://www.json.org/json-en.html}}, +} + +@Misc{gmshURL, + author = {Christophe Geuzaine and Jean-François Remacle}, + title = {Gmsh}, + howpublished = {\url{https://gmsh.info/}}, +} + +@Comment{jabref-meta: 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z)CXiOyEl?|x{L}h_2J;N)quBGuWb2-jQ`7VFTL^~TZOCaCsq~}N8yb$CR5b4*Jcmu G8}&cOUF;SB diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index c70f2ab..a485c95 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -21,6 +21,10 @@ Author = {Jorge Gonzalez} } } +% Allows breaking of URL in bibliography. +\setcounter{biburllcpenalty}{7000} +\setcounter{biburlucpenalty}{8000} + \makeglossaries %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -31,6 +35,8 @@ \newacronym{cpu}{CPU}{Central Processing Unit} \newacronym{json}{JSON}{JavaScript Object Notation} \newacronym{io}{I/O}{input/output} +\newacronym{mcc}{MCC}{Monte-Carlo Collisions} +\newacronym{cs}{CS}{Coulomb Scattering} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newglossaryentry{openmp}{name={OpenMP},description={Shared-memory parallelization}} @@ -60,7 +66,9 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Introduction} \section{About fpakc} - The \Gls{fpakc} is a simulation tool that models species in plasmas (ions, electrons and neutrals) following the trajectories of macro-particles as they move and interact between them and the boundaries of the domain. + The \Gls{fpakc} is a simulation tool that models species in plasma (ions, electrons and neutrals) following the trajectories of macro-particles as they move and interact between them and the boundaries of the domain. + Particles properties are scattered into a finite element mesh in 1, 2 or three dimensions, with the possibility to choose different geometries. + The official repository can be found at: \url{https://gitlab.com/JorgeGonz/fpakc.git}. The code is currently in very early steps of development and further improvements are expected very soon. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -78,11 +86,11 @@ This ease the process of fixing bugs and improving the codes by a large team of developers. For more information, please refer to the \acrshort{fpakc} Coding Style document. \item \acrshort{fpakc} requires to be ease to use. - Input files are required to be in a \textit{human} format, meaning that the different options can be easily understander without constant reference to the user guide. - \acrshort{fpakc} is aimed to be used in a wide range of applications and by a variety of scientist: from very established ones to newcomers to the field and students. + Input files are required to be in a \textit{human} format, meaning that the different options can be easily understood without constant reference to the user guide. + \acrshort{fpakc} is aimed to be used in a wide range of applications and by a variety of scientist: from very established ones to newcomers to the field and also students. \end{enumerate} - These are foundation stones of the code and code development and should always be followed, at least for the releases in the official repository. + These are foundation stones of \acrshort{fpakc} and its development and should always be followed, at least for the releases in the official repository. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{How to collaborate} @@ -92,22 +100,32 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Operation Scheme} \section{The Particle Method} - \acrshort{fpakc} uses macro-particles to simulate the dynamics of different plasma species (mainly ions, electrons and neutrals). - These macro-particles represent a large amount of real particles. + \Gls{fpakc} uses macro-particles to simulate the dynamics of different plasma species (mainly ions, electrons and neutrals). + These macro-particles could represent a large amount of real particles. For now own, macro-particles will be referred as just particles by abusing of language. - In the evolution of these particles, external forces (as the electromagnetic field), interaction between particles (as collisions) and interaction with the boundaries of the domain are included. + During the initiation phase, the input and mesh file(s) are reading. + If an initial distribution for a species is specified in the input file, particles to match that distribution are loaded into the cells. + + The general steps performed in each iteration are: + \begin{enumerate} + \item Firstly, new particles are introduced into the domain as specified in the input file. + \item Particles are then pushed accounting for possible acceleration by external forces. + During this process, if a particle changes cell it is found using the connectivity between elements. + If a particle encounters a boundary instead a new cell, the interaction between the boundary and the wall is computed. + A particle may abandon the computational domain and is no longer accounted for. + \item Next, collisions for the particles inside each cell are carried out. + This may include different collision processes for each particle. + Monte-Carlo collisions (elastic, ionization, charge-exchange$\ldots$) can be carried out in a specific mesh, to better adjust to the cell size required, similar to the mean-free path. + Although not yet implemented, Coulomb scattering will always be performed in the mesh used for scattering, which cell size should be in the order of the Debye length. + \item A new array containing all particles inside the numerical domain is obtained. + \item Finally, particle properties are scattered among the mesh nodes. + These properties are density, momentum and the stress tensor. + \item If requested, the electromagnetic field is computed. + \item If the number of iteration requires writing output files, it is done after all steps for the particles is completed. + \end{enumerate} - At each time step, particles are first pushed accounting for possible acceleration by external forces. - Then, the cell in which the particle ends up is located. - If a boundary is encountered, the interaction between the particle and the boundary is calculated. - Next, collisions for the particles in each cell are carried on. - This may include different collision processes for each particle. - Finally, the particles properties are scattered into the mesh nodes. - These properties are density, momentum and the stress tensor. - Non-dimensional units are used for this, but output files are converted into dimensional units. - If requested, the electromagnetic field is computed. - - More in depth explanation of the different steps are given in the following sections. + \Gls{fpakc} has the capability to configure all the behavior of the simulation via the input file. + Parameters as injection, the kind of pusher used for each species, boundary conditions or collisions are user-input parameters and will be described in Chap.~\ref{ch:input_file}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Injection of new particles} @@ -122,85 +140,93 @@ Particles are pushed in the selected domain. Velocity and position are updated according to the old particle values and the external forces. All the push routines for the different geometries can be found in \lstinline|moduleSolver|. + The pushers included in \Gls{fpakc} are: -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{3D Cartesian pusher} - Moving particles in a simple 3D Cartesian space. + \begin{itemize} + \item 3D Cartesian pusher. + Moving particles in a simple 3D Cartesian space. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{2D Cylindrical} - When a 2D cylindrical geometry is used ($z$, $r$), a Boris solver\cite{boris1970relativistic} is used to move particles accounting for the effect of the symmetry axis. - This pusher removes the issue with particles going to infinite velocity when $r \rightarrow 0$ by pushing the particles in Cartesian space and then converting it to $r-z$ geometry. - Velocity in the $\theta$ direction is updated for collision processes, although the dynamic in the angular direction is assumed as symmetric. + \item 2D Cylindrical. + When a 2D cylindrical geometry is used ($z$, $r$), a Boris solver\cite{boris1970relativistic} is used to move particles accounting for the effect of the symmetry axis. + This pusher removes the issue with particles going to infinite velocity when $r \rightarrow 0$ by pushing the particles in Cartesian space and then converting it to $r-z$ geometry. + Velocity in the $\theta$ direction is updated for collision processes, although the dynamic in the angular direction is assumed as symmetric. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{2D Cartesian pusher} - Moving particles in a simple 2D Cartesian space. + \item 2D Cartesian pusher. + Moving particles in a simple 2D Cartesian space. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{1D Radial pusher} - Same implementation as 2D cylindrical pusher but direction $z$ is ignored. + \item 1D Radial pusher. + Same implementation as 2D cylindrical pusher but direction $z$ is ignored. -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{1D Cartesian pusher} - Moving particles in a simple 1D Cartesian space. Same implementation as in 2D Cartesian but $y$ direction is ignored. + \item 1D Cartesian pusher. + Moving particles in a simple 1D Cartesian space. Same implementation as in 2D Cartesian but $y$ direction is ignored. + \end{itemize} + %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Find new cell} Once the position and velocity of the particle are updated, the new cell that contains the particle is searched. This is done by a neighbor search, starting from the previous cell containing the particle. In the process of finding the new cell, it is possible that a particle encounters a boundary. - When the particle interacts with the boundary, the particle may continue its life in the simulation (reflected) or might be eliminated from it (absorbed). + When the particle interacts with the boundary, the particle may continue its life in the simulation or might be eliminated from it. Once that the new cell is found or that the particle life has been terminated, the pushing is complete. + If a secondary mesh is used for the Monte-Carlo Collision method, the new cell in that mesh in which the particle reside is also found by the same method, although no interaction with the boundaries is accounted for this step. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Variable Weighting Scheme\label{sec:weightingScheme}} One of the issues in particle simulations, specially for axial-symmetrical cases, is that due to the disparate volume of cells, specially close to the axis, the statistics in some cells is usually poor. To try to fix that, the possibility to include a Variable Weighting Scheme in the simulations is available in \Gls{fpakc}. - This schemes detect when a particle change cells and modify its weight accordingly. + These schemes detect when a particle change cells and modify its weight accordingly. To avoid particles having a larger weight than the rest, particle can be split in multiple particles if weight become too large. - + The use of a Variable Weighting Scheme is defined by the user in the input file. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Interaction between species}\label{ssec:collisions} + For each cell, interaction among the particles in it are carried out. + \Gls{fpakc} distinguish between two types of interactions: \acrfull{mcc} and \acrfull{cs}. + \acrshort{mcc} refers to the process in which two particles interact in short range. + These processes include, but are not limited to: elastic collisions, ionization/recombination, charge-exchange, excitation/de-excitation\ldots + A secondary mesh, with cell sizes in the range of the mean-free path, can be used for this type of collisions. + \acrshort{cs} refers to the large range interaction that a charged species suffer do to the charge of other particles. + The interactions between the different species is defined by the user. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{\acrlong{mcc}} + For each cell the maximum number of collisions between particle is computed. + For each collision, a random pair of particles is chosen. + A loop over all possible collisions for the pair of particles chosen is performed. + If a random number is above the probability of collision for that specific type, the collision take place. + If not, the next type for the particle pair is checked. + + Below are described the type of collision process implemented in \acrshort{fpakc}: + \begin{itemize} + \item Elastic. + In this type of collision, particles exchange energy due to hard-sphere model. + Total energy is conserved. + Resulting velocity directions are chosen from Maxwellian distribution functions. + This interaction is useful for short-range collisions as neutral-neutral and charged-neutral elastic collisions. + + \item Charge Exchange. + When an ion interacts with a neutral particle, an electron is exchanged between the two particles with no exchange of energy. + This is called a resonant charge-exchange. + + \item Electron Impact Ionization. + When the relative energy between a neutral and an electron is above the ionization threshold, there is a probability that the neutral particle will become ionized. + This ionization emits and additional electron + + \item Recombination. + When an electron and an ion interact, there is a possibility for them to be recombined into a neutral particle. + The photon emitted by this process is not modeled yet. + \end{itemize} + + \subsection{\acrlong{cs}} + Although not yet implement, a first approach will be soon implemented using Ref.~\cite{higginson2020corrected} as a guideline. + %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Reset of particle array} Once that the pushing is complete, the array of particles that remain inside the domain is copied to a new array. The new array containing only the particles inside the domain will be the one used in the next steps. In this section, particles are assigned to the list of particles inside each individual cell. Unfortunately, this is done right now without parallelisation and is very CPU consuming. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \section{Interaction between species}\label{ssec:collisions} - For each cell, interaction among the particles in it are carried out. - The type of interaction between the different particles is defined by the user. - In general, the maximum number of interaction in a cell is computed. - For each collision, a pair of particles is selected. - A loop over all possible collisions for the pair of particles is performed. - If a random number generated is above the probability of collision for the type divided by the maximum one, the collision take place. - - Collisions can change the velocity of the particles involved (elastic), create new particles (ionization-recombination) or change the type of particle (charge-exchange). - - Below are described the type of collision process implemented between species. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{Elastic collision} - In this type of collision, particles exchange energy due to hard-sphere model. - Total energy is conserved. - Resulting velocity directions are chosen from Maxwellian distribution functions. - This interaction is useful for short-range collisions as neutral-neutral and charged-neutral elastic collisions. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{Charge Exchange} - When an ion interacts with a neutral particle, an electron is exchanged between the two particles with no exchange of energy. - This is called a resonant charge-exchange. - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{Electron Impact Ionization} - When the relative energy between a neutral and an electron is above the ionization threshold, there is a probability that the neutral particle will become ionized. - This ionization emits and additional electron - -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{Recombination} - When an electron and an ion interact, there is a possibility for them to be recombined into a neutral particle. - The photon emitted by this process is not modeled yet. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Scattering} @@ -620,9 +646,14 @@ make \begin{itemize} \item \textbf{folderCollisions}: Character. Indicates the path to in which the cross section tables are allocated. + \item \textbf{meshCollisions}: Character. + Determines a specific mesh for \acrshort{mcc} processes. + The file needs to be located in the folder \textbf{output.folder}. + If this value is not present, the mesh defined in \textbf{geometry.meshFile} is used for \acrshort{mcc}. + The format of this mesh needs to be the same as the one defined in \textbf{geometry.meshType}. \item \textbf{collisions}: Object. Array. - Contains the different binary collisions. + Contains the different short range interactions (\acrshort{mcc}). Multiple collision types can be defined for each pair of species. Each object in the array is defined by: \begin{itemize} @@ -665,21 +696,22 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Example runs\label{ch:exampleRuns}} - \section{1D Cathode} + \section{1D Emissive Cathode (1D\_Cathode)} Emission from a 1D cathond in both, cartesian and radial coordinates. Both cases insert the same amount of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifiying some parameters in the input file. The same mesh file (\lstinline|mesh.msh|) is used for both cases. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \section{ALPHIE Grid system} + \section{ALPHIE Grid system (ALPHIE\_Grid)} Two-dimensional axialsymmetry case to study the counterflow of electrons and Argon ions going trhough the ALPHIE grid system. A \lstinline|mesh.geo| file is provided to easily modify the parameters of the grid system and generate a new mesh with \Gls{gmsh}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \section{Flow around cylinder} + \section{Flow around cylinder (cylFlow)} Simple case of neutral Argon flow around a cylinder in a 2D axialsymmetry geometry. - Elastic collisions between argon particles are included as default. + Elastic collisions between argon particles are included. + Two cases are presented here: one in which the same mesh (meshSingle.msh) for scattering and collisions is used (input.json) and a second one (inputDualMesh.json) in which a mesh is used for scattering (mesh.msh) and a second one is used only for collisions (meshColl.msh). %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \printglossaries diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 77b274c..88029a2 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -8,7 +8,7 @@ "geometry": { "type": "2DCyl", "meshType": "gmsh2", - "meshFile": "mesh.msh" + "meshFile": "meshSingle.msh" }, "species": [ {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 5.0e8} @@ -57,7 +57,7 @@ }, "parallel": { "OpenMP":{ - "nThreads": 8 + "nThreads": 24 } } } diff --git a/runs/cylFlow/inputDualMesh.json b/runs/cylFlow/inputDualMesh.json new file mode 100644 index 0000000..1f2d146 --- /dev/null +++ b/runs/cylFlow/inputDualMesh.json @@ -0,0 +1,64 @@ +{ + "output": { + "path": "./runs/cylFlow/", + "triggerOutput": 10, + "cpuTime": true, + "numColl": true + }, + "geometry": { + "type": "2DCyl", + "meshType": "gmsh2", + "meshFile": "mesh.msh" + }, + "species": [ + {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 5.0e8} + ], + "boundary": [ + {"name": "Injection", "physicalSurface": 1, "bTypes": [ + {"type": "transparent"} + ]}, + {"name": "Chamber Walls", "physicalSurface": 2, "bTypes": [ + {"type": "reflection"} + ]}, + {"name": "Exterior", "physicalSurface": 3, "bTypes": [ + {"type": "transparent"} + ]}, + {"name": "Cylinder Walls", "physicalSurface": 4, "bTypes": [ + {"type": "reflection"} + ]}, + {"name": "Axis", "physicalSurface": 5, "bTypes": [ + {"type": "axis"} + ]} + ], + "inject": [ + {"name": "Nozzle", "species": "Argon", "flow": 10.0, "units": "sccm", "v": 300.0, "T": [300.0, 300.0, 300.0], + "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [1, 0, 0], "physicalSurface": 1} + ], + "reference": { + "density": 1.0e20, + "mass": 6.633e-26, + "temperature": 300.0, + "radius": 1.88e-10 + }, + "case": { + "tau": [5.0e-7], + "time": 1.0e-3, + "pusher": ["2DCylNeutral"], + "WeightingScheme": "Volume" + }, + "interactions": { + "folderCollisions": "./data/collisions/", + "meshCollisions": "meshColl.msh", + "collisions": [ + {"species_i": "Argon", "species_j": "Argon", + "cTypes": [ + {"type": "elastic", "crossSection": "EL_Ar-Ar.dat"} + ]} + ] + }, + "parallel": { + "OpenMP":{ + "nThreads": 24 + } + } +} diff --git a/runs/cylFlow/mesh.geo b/runs/cylFlow/mesh.geo index 7fb4232..7622c6b 100644 --- a/runs/cylFlow/mesh.geo +++ b/runs/cylFlow/mesh.geo @@ -62,10 +62,13 @@ Physical Surface(4) = {4}; Physical Surface(5) = {5}; Transfinite Line {12, 2, 4, 6} = cyl_h/Lcell + 1 Using Progression 1; -Transfinite Line {1, 13, 10} = cyl_s/Lcell + 1 Using Progression 1; -Transfinite Line {11, 16, 15, 7} = (dom_h - cyl_h)/Lcell + 1 Using Progression 1; +Transfinite Line {10} = cyl_s/Lcell + 1 Using Progression 1; +Transfinite Line {1, 13} = cyl_s/Lcell + 1 Using Progression 0.95; +Transfinite Line {11, 7} = (dom_h - cyl_h)/Lcell + 1 Using Progression 1; +Transfinite Line {16,-15} = (dom_h - cyl_h)/Lcell + 1 Using Progression 0.95; Transfinite Line {3, 9} = cyl_l/Lcell + 1 Using Progression 1; -Transfinite Line {5, 14, 8} = (dom_l - cyl_e)/Lcell + 1 Using Progression 1; +Transfinite Line {8} = (dom_l - cyl_e)/Lcell + 1 Using Progression 1; +Transfinite Line {-5, -14} = (dom_l - cyl_e)/Lcell + 1 Using Progression 0.95; Transfinite Surface{1}; Recombine Surface {1}; diff --git a/runs/cylFlow/mesh.msh b/runs/cylFlow/mesh.msh index bba77d3..e63d474 100644 --- a/runs/cylFlow/mesh.msh +++ b/runs/cylFlow/mesh.msh @@ -15,35 +15,35 @@ $Nodes 10 0.03 0.03 0 11 0 0.03 0 12 0 0.005 0 -13 0.0009999999999979004 0 0 -14 0.001999999999995411 0 0 -15 0.002999999999993785 0 0 -16 0.003999999999991725 0 0 -17 0.004999999999988652 0 0 -18 0.005999999999985575 0 0 -19 0.006999999999982499 0 0 -20 0.007999999999979595 0 0 -21 0.008999999999975637 0 0 -22 0.009999999999973443 0 0 -23 0.01099999999996967 0 0 -24 0.01199999999996722 0 0 -25 0.0129999999999637 0 0 -26 0.01399999999996089 0 0 -27 0.01499999999995807 0 0 -28 0.01599999999996154 0 0 -29 0.01699999999996431 0 0 -30 0.01799999999996781 0 0 -31 0.01899999999996954 0 0 -32 0.01999999999997272 0 0 -33 0.02099999999997518 0 0 -34 0.02199999999997899 0 0 -35 0.0229999999999801 0 0 -36 0.0239999999999839 0 0 -37 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{4, 5}; +Line(5) = {5, 6}; +Line(6) = {6, 7}; +Line(7) = {7, 8}; +Line(8) = {8, 9}; +Line(9) = {9, 10}; +Line(10) = {10, 11}; +Line(11) = {11, 12}; +Line(12) = {12, 1}; +Line(13) = {12, 3}; +Line(14) = {4, 7}; +Line(15) = {4, 9}; +Line(16) = {10, 3}; + +Line Loop(1) = {1, 2, -13, 12}; +Plane Surface(1) = {1}; +Line Loop(2) = {13, -16, 10, 11}; +Plane Surface(2) = {2}; +Line Loop(3) = {3, 15, 9, 16}; +Plane Surface(3) = {3}; +Line Loop(4) = {5, 6, -14, 4}; +Plane Surface(4) = {4}; +Line Loop(5) = {14, 7, 8, -15}; +Plane Surface(5) = {5}; + +Physical Surface(1) = {1}; +Physical Surface(2) = {2}; +Physical Surface(3) = {3}; +Physical Surface(4) = {4}; +Physical Surface(5) = {5}; + +Transfinite Line {12, 2, 4, 6} = cyl_h/Lcell + 1 Using Progression 1; +Transfinite Line {1, 13, 10} = cyl_s/Lcell + 1 Using Progression 1; +Transfinite Line {11, 16, 15, 7} = (dom_h - cyl_h)/Lcell + 1 Using Progression 1; +Transfinite Line {3, 9} = cyl_l/Lcell + 1 Using Progression 1; +Transfinite Line {5, 14, 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256 7 92 2013 +1908 3 2 5 5 2013 92 93 2014 +1909 3 2 5 5 2014 93 94 2015 +1910 3 2 5 5 2015 94 95 2016 +1911 3 2 5 5 2016 95 96 2017 +1912 3 2 5 5 2017 96 97 2018 +1913 3 2 5 5 2018 97 98 2019 +1914 3 2 5 5 2019 98 99 2020 +1915 3 2 5 5 2020 99 100 2021 +1916 3 2 5 5 2021 100 101 2022 +1917 3 2 5 5 2022 101 102 2023 +1918 3 2 5 5 2023 102 103 2024 +1919 3 2 5 5 2024 103 104 2025 +1920 3 2 5 5 2025 104 105 2026 +1921 3 2 5 5 2026 105 106 2027 +1922 3 2 5 5 2027 106 107 2028 +1923 3 2 5 5 2028 107 108 2029 +1924 3 2 5 5 2029 108 109 2030 +1925 3 2 5 5 2030 109 110 2031 +1926 3 2 5 5 2031 110 111 2032 +1927 3 2 5 5 2032 111 112 2033 +1928 3 2 5 5 2033 112 113 2034 +1929 3 2 5 5 2034 113 114 2035 +1930 3 2 5 5 2035 114 8 115 +$EndElements diff --git a/runs/cylFlow/meshSingle.geo b/runs/cylFlow/meshSingle.geo new file mode 100644 index 0000000..7fb4232 --- /dev/null +++ b/runs/cylFlow/meshSingle.geo @@ -0,0 +1,79 @@ +cl__1 = 1; +cyl_h = 0.005; +cyl_l = 0.02; +cyl_s = 0.03; +cyl_e = cyl_s + cyl_l; +dom_h = 0.03; +dom_l = 0.07; + +Lcell = 0.001; + +Point(1) = {0, 0, 0, cl__1}; +Point(2) = {cyl_s, 0, 0, cl__1}; +Point(3) = {cyl_s, cyl_h, 0, cl__1}; +Point(4) = {cyl_e, cyl_h, 0, cl__1}; +Point(5) = {cyl_e, 0, 0, cl__1}; +Point(6) = {dom_l, 0, 0, cl__1}; +Point(7) = {dom_l, cyl_h, 0, cl__1}; +Point(8) = {dom_l, dom_h, 0, cl__1}; +Point(9) = {cyl_e, dom_h, 0, cl__1}; +Point(10) = {cyl_s, dom_h, 0, cl__1}; +Point(11) = {0, dom_h, 0, cl__1}; +Point(12) = {0, cyl_h, 0, cl__1}; + +Line(1) = {1, 2}; +Line(2) = {2, 3}; +Line(3) = {3, 4}; +Line(4) = {4, 5}; +Line(5) = {5, 6}; +Line(6) = {6, 7}; +Line(7) = {7, 8}; +Line(8) = {8, 9}; +Line(9) = {9, 10}; +Line(10) = {10, 11}; +Line(11) = {11, 12}; +Line(12) = {12, 1}; +Line(13) = {12, 3}; +Line(14) = {4, 7}; +Line(15) = {4, 9}; +Line(16) = {10, 3}; + +Line Loop(1) = {1, 2, -13, 12}; +Plane Surface(1) = {1}; +Line Loop(2) = {13, -16, 10, 11}; +Plane Surface(2) = {2}; +Line Loop(3) = {3, 15, 9, 16}; +Plane Surface(3) = {3}; +Line Loop(4) = {5, 6, -14, 4}; +Plane Surface(4) = {4}; +Line Loop(5) = {14, 7, 8, -15}; +Plane Surface(5) = {5}; + +Physical Line(1) = {12, 11}; +Physical Line(2) = {10, 9, 8}; +Physical Line(3) = {7, 6}; +Physical Line(4) = {2, 3, 4}; +Physical Line(5) = {1, 5}; + +Physical Surface(1) = {1}; +Physical Surface(2) = {2}; +Physical Surface(3) = {3}; +Physical Surface(4) = {4}; +Physical Surface(5) = {5}; + +Transfinite Line {12, 2, 4, 6} = cyl_h/Lcell + 1 Using Progression 1; +Transfinite Line {1, 13, 10} = cyl_s/Lcell + 1 Using Progression 1; +Transfinite Line {11, 16, 15, 7} = (dom_h - cyl_h)/Lcell + 1 Using Progression 1; +Transfinite Line {3, 9} = cyl_l/Lcell + 1 Using Progression 1; +Transfinite Line {5, 14, 8} = (dom_l - cyl_e)/Lcell + 1 Using Progression 1; + +Transfinite Surface{1}; +Recombine Surface {1}; +Transfinite Surface{2}; +Recombine Surface {2}; +Transfinite Surface{3}; +Recombine Surface {3}; +Transfinite Surface{4}; +Recombine Surface {4}; +Transfinite Surface{5}; +Recombine Surface {5}; diff --git a/runs/cylFlow/meshSingle.msh b/runs/cylFlow/meshSingle.msh new file mode 100644 index 0000000..bba77d3 --- /dev/null +++ b/runs/cylFlow/meshSingle.msh @@ -0,0 +1,4182 @@ +$MeshFormat +2.2 0 8 +$EndMeshFormat +$Nodes +2035 +1 0 0 0 +2 0.03 0 0 +3 0.03 0.005 0 +4 0.05 0.005 0 +5 0.05 0 0 +6 0.07000000000000001 0 0 +7 0.07000000000000001 0.005 0 +8 0.07000000000000001 0.03 0 +9 0.05 0.03 0 +10 0.03 0.03 0 +11 0 0.03 0 +12 0 0.005 0 +13 0.0009999999999979004 0 0 +14 0.001999999999995411 0 0 +15 0.002999999999993785 0 0 +16 0.003999999999991725 0 0 +17 0.004999999999988652 0 0 +18 0.005999999999985575 0 0 +19 0.006999999999982499 0 0 +20 0.007999999999979595 0 0 +21 0.008999999999975637 0 0 +22 0.009999999999973443 0 0 +23 0.01099999999996967 0 0 +24 0.01199999999996722 0 0 +25 0.0129999999999637 0 0 +26 0.01399999999996089 0 0 +27 0.01499999999995807 0 0 +28 0.01599999999996154 0 0 +29 0.01699999999996431 0 0 +30 0.01799999999996781 0 0 +31 0.01899999999996954 0 0 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100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -400,6 +400,33 @@ MODULE moduleMesh END INTERFACE CONTAINS + !Constructs the global K matrix + SUBROUTINE constructGlobalK(self) + IMPLICIT NONE + + CLASS(meshParticles), INTENT(inout):: self + INTEGER:: e + INTEGER, ALLOCATABLE:: n(:) + REAL(8), ALLOCATABLE:: localK(:,:) + INTEGER:: nNodes, i, j + + DO e = 1, self%numVols + n = self%vols(e)%obj%getNodes() + localK = self%vols(e)%obj%elemK() + nNodes = SIZE(n) + + DO i = 1, nNodes + DO j = 1, nNodes + self%K(n(i), n(j)) = self%K(n(i), n(j)) + localK(i, j) + + END DO + + END DO + + END DO + + END SUBROUTINE constructGlobalK + !Reset the output of node PURE SUBROUTINE resetOutput(self) USE moduleSpecies @@ -627,31 +654,11 @@ MODULE moduleMesh END SUBROUTINE doCollisions - !Constructs the global K matrix - SUBROUTINE constructGlobalK(self) - IMPLICIT NONE + SUBROUTINE doCoulomb(self) + IMPORT meshParticles CLASS(meshParticles), INTENT(inout):: self - INTEGER:: e - INTEGER, ALLOCATABLE:: n(:) - REAL(8), ALLOCATABLE:: localK(:,:) - INTEGER:: nNodes, i, j - DO e = 1, self%numVols - n = self%vols(e)%obj%getNodes() - localK = self%vols(e)%obj%elemK() - nNodes = SIZE(n) - - DO i = 1, nNodes - DO j = 1, nNodes - self%K(n(i), n(j)) = self%K(n(i), n(j)) + localK(i, j) - - END DO - - END DO - - END DO - - END SUBROUTINE constructGlobalK + END SUBROUTINE doCoulomb END MODULE moduleMesh diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 index 213afa5..9bc8453 100644 --- a/src/modules/moduleMath.f90 +++ b/src/modules/moduleMath.f90 @@ -39,4 +39,14 @@ MODULE moduleMath END FUNCTION normalize + !Norm 1 of vector + PURE FUNCTION norm1(a) RESULT(b) + IMPLICIT NONE + REAL(8), DIMENSION(:), INTENT(in):: a + REAL(8):: b + + b = SUM(DABS(a)) + + END FUNCTION norm1 + END MODULE moduleMath From d2b36632c9913ad0bdc247edb4c1d4e2e390e948 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 12 Apr 2021 18:54:33 +0200 Subject: [PATCH 025/203] Implementation of 0D grid for analysis of collisional operators. Still need to add a 0D pusher and the corresponding input configuration and documentation. --- src/modules/mesh/0D/makefile | 5 + src/modules/mesh/0D/moduleMesh0D.f90 | 181 ++++++++++++++++++ src/modules/mesh/inout/0D/makefile | 7 + .../mesh/inout/0D/moduleMeshInput0D.f90 | 66 +++++++ .../mesh/inout/0D/moduleMeshOutput0D.f90 | 61 ++++++ .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 1 + .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 2 +- src/modules/mesh/inout/makefile | 5 +- src/modules/mesh/makefile | 7 +- src/modules/mesh/moduleMesh.f90 | 3 +- src/modules/moduleInput.f90 | 5 +- src/modules/moduleOutput.f90 | 9 +- 12 files changed, 339 insertions(+), 13 deletions(-) create mode 100644 src/modules/mesh/0D/makefile create mode 100644 src/modules/mesh/0D/moduleMesh0D.f90 create mode 100644 src/modules/mesh/inout/0D/makefile create mode 100644 src/modules/mesh/inout/0D/moduleMeshInput0D.f90 create mode 100644 src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 diff --git a/src/modules/mesh/0D/makefile b/src/modules/mesh/0D/makefile new file mode 100644 index 0000000..9dcba7e --- /dev/null +++ b/src/modules/mesh/0D/makefile @@ -0,0 +1,5 @@ +all: moduleMesh0D.o + +moduleMesh0D.o: moduleMesh0D.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 new file mode 100644 index 0000000..3b84448 --- /dev/null +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -0,0 +1,181 @@ +!moduleMesh1D: 0D mesh. No coordinates are relevant. No edges are used +MODULE moduleMesh0D + USE moduleMesh + IMPLICIT NONE + + TYPE, PUBLIC, EXTENDS(meshNode):: meshNode0D + INTEGER:: n1 + CONTAINS + PROCEDURE, PASS:: init => initNode0D + PROCEDURE, PASS:: getCoordinates => getCoord0D + + END TYPE meshNode0D + + TYPE, PUBLIC, EXTENDS(meshVol):: meshVol0D + CLASS(meshNode), POINTER:: n1 + CONTAINS + PROCEDURE, PASS:: init => initVol0D + PROCEDURE, PASS:: getNodes => getNodes0D + PROCEDURE, PASS:: randPos => randPos0D + PROCEDURE, PASS:: scatter => scatter0D + PROCEDURE, PASS:: gatherEF => gatherEF0D + PROCEDURE, PASS:: elemK => elemK0D + PROCEDURE, PASS:: elemF => elemF0D + PROCEDURE, PASS:: phy2log => phy2log0D + PROCEDURE, NOPASS:: inside => inside0D + PROCEDURE, PASS:: nextElement => nextElement0D + + END TYPE meshVol0D + + CONTAINS + !NODE FUNCTIONS + !Init node + SUBROUTINE initNode0D(self, n, r) + IMPLICIT NONE + + CLASS(meshNode0D), INTENT(out):: self + INTEGER, INTENT(in):: n + REAL(8), INTENT(in):: r(1:3) !Unused variable + + self%n = n + + END SUBROUTINE initNode0D + + !Get node coordinates + PURE FUNCTION getCoord0D(self) RESULT(r) + IMPLICIT NONE + + CLASS(meshNode0D), INTENT(in):: self + REAL(8):: r(1:3) + + r = 0.D0 + + END FUNCTION + + !VOLUME FUNCTIONS + !Inits dummy 0D volume + SUBROUTINE initVol0D(self, n, p, nodes) + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(out):: self + INTEGER, INTENT(in):: n + INTEGER, INTENT(in):: p(:) + TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) + + self%n = n + + self%n1 => nodes(p(1))%obj + self%volume = 1.D0 + self%n1%v = 1.D0 + + self%sigmaVrelMax = sigma_ref/L_ref**2 + + CALL OMP_INIT_LOCK(self%lock) + + END SUBROUTINE initVol0D + + PURE FUNCTION getNodes0D(self) RESULT(n) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + INTEGER, ALLOCATABLE:: n(:) + + END FUNCTION getNodes0D + + FUNCTION randPos0D(self) RESULT(r) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8):: r(1:3) + + r = 0.D0 + + END FUNCTION randPos0D + + SUBROUTINE scatter0D(self, part) + USE moduleMath + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + CLASS(particle), INTENT(in):: part + REAL(8):: tensorS(1:3,1:3) + TYPE(outputNode), POINTER:: vertex + + tensorS = outerProduct(part%v, part%v) + + vertex => self%n1%output(part%species%n) + vertex%den = vertex%den + part%weight + vertex%mom(:) = vertex%mom(:) + part%weight*part%v(:) + vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*tensorS + + END SUBROUTINE scatter0D + + PURE FUNCTION gatherEF0D(self, xi) RESULT(EF) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: EF(1:3) + + EF = 0.D0 + + END FUNCTION gatherEF0D + + PURE FUNCTION elemK0D(self) RESULT(localK) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), ALLOCATABLE:: localK(:,:) + + ALLOCATE(localK(1:1, 1:1)) + localK = 0.D0 + + END FUNCTION elemK0D + + PURE FUNCTION elemF0D(self, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: source(1:) + REAL(8), ALLOCATABLE:: localF(:) + + ALLOCATE(localF(1:1)) + localF = 0.D0 + + END FUNCTION elemF0D + + PURE FUNCTION phy2log0D(self,r) RESULT(xN) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: r(1:3) + REAL(8):: xN(1:3) + + xN = 0.D0 + + END FUNCTION phy2log0D + + PURE FUNCTION inside0D(xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: xi(1:3) + LOGICAL:: ins + + ins = .TRUE. + + END FUNCTION inside0D + + SUBROUTINE nextElement0D(self, xi, nextElement) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + CLASS(meshElement), POINTER, INTENT(out):: nextElement + + nextElement => NULL() + + END SUBROUTINE nextElement0D + +END MODULE moduleMesh0D diff --git a/src/modules/mesh/inout/0D/makefile b/src/modules/mesh/inout/0D/makefile new file mode 100644 index 0000000..4bf91b7 --- /dev/null +++ b/src/modules/mesh/inout/0D/makefile @@ -0,0 +1,7 @@ +all: moduleMeshInput0D.o moduleMeshOutput0D.o + +moduleMeshInput0D.o: moduleMeshOutput0D.o moduleMeshInput0D.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 new file mode 100644 index 0000000..678671a --- /dev/null +++ b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 @@ -0,0 +1,66 @@ +MODULE moduleMeshInput0D + !Creates a 0D mesh. mostly used for testing collisional processes. + !This mesh consists on 1 node and 1 volume in which all particles are located. + !No boundary conditions and no pusher should be applied to this geometry. + !Output should go to a single file (per species) in which each row represents an iteration. + !In principle, no EM field is applied. + + CONTAINS + !Inits the 0D mesh + SUBROUTINE init0D(self) + USE moduleMesh + USE moduleMeshOutput0D + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(inout), TARGET:: self + + IF (ASSOCIATED(meshForMCC, self)) self%printColl => printColl0D + SELECT TYPE(self) + TYPE IS(meshParticles) + self%printOutput => printOutput0D + self%printEM => printEM0D + + END SELECT + self%readMesh => read0D + + END SUBROUTINE init0D + + !Reads a 0D mesh file. + !No reading is actually done as the 0D mesh is a fixed one + SUBROUTINE read0D(self, filename) + USE moduleMesh + USE moduleMesh0D + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename !Dummy file, not used + REAL(8):: r(1:3) + + !Allocates one node + self%numNodes = 1 + ALLOCATE(self%nodes(1:1)) + !Allocates one volume + self%numVols = 1 + ALLOCATE(self%vols(1:1)) + !Allocates matrix K + SELECT TYPE(self) + TYPE IS(meshParticles) + ALLOCATE(self%K(1:1, 1:1)) + ALLOCATE(self%IPIV(1:1, 1:1)) + self%K = 0.D0 + self%IPIV = 0.D0 + + END SELECT + + !Creates the node + ALLOCATE(meshNode0D:: self%nodes(1)%obj) + r = 0.D0 + CALL self%nodes(1)%obj%init(1, r) + + !Creates the volume + ALLOCATE(meshVol0D:: self%vols(1)%obj) + CALL self%vols(1)%obj%init(1, (/ 1/), self%nodes) + + END SUBROUTINE read0D + +END MODULE moduleMeshInput0D diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 new file mode 100644 index 0000000..6e490b4 --- /dev/null +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -0,0 +1,61 @@ +MODULE moduleMeshOutput0D + + CONTAINS + SUBROUTINE printOutput0D(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleSpecies + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: i + TYPE(outputFormat):: output + CHARACTER(:), ALLOCATABLE:: fileName + + DO i = 1, nSpecies + fileName='OUTPUT_' // species(i)%obj%name // '.dat' + IF (t == 0) THEN + OPEN(20, file = path // folder // '/' // fileName, action = 'write') + WRITE(20, "(A1, 8X, A1, 6(A20))") "#","t","density", "velocity", "pressure", "temperature" + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + CLOSE(20) + + END IF + + OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') + CALL calculateOutput(self%nodes(1)%obj%output(i), output, self%nodes(1)%obj%v, species(i)%obj) + WRITE(20, "(I10, 6(ES20.6E3))") t, output%density, output%velocity, output%pressure, output%temperature + CLOSE(20) + + END DO + + END SUBROUTINE printOutput0D + + SUBROUTINE printColl0D(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleCaseParam + USE moduleCollisions + USE moduleOutput + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(in):: self + INTEGER, INTENT(in):: t + + END SUBROUTINE printColl0D + + SUBROUTINE printEM0D(self, t) + USE moduleMesh + USE moduleRefParam + USE moduleCaseParam + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: t + + END SUBROUTINE printEM0D + +END MODULE moduleMeshOutput0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 59d7064..629a6f2 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -1,4 +1,5 @@ MODULE moduleMeshInputGmsh2 + !Reads a mesh in the Gmsh v2.0 format CONTAINS !Inits a mesh to use Gmsh2 format diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index bec5449..43b1ef8 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -96,8 +96,8 @@ MODULE moduleMeshOutputGmsh2 IMPLICIT NONE CLASS(meshGeneric), INTENT(in):: self - INTEGER:: numEdges INTEGER, INTENT(in):: t + INTEGER:: numEdges INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName diff --git a/src/modules/mesh/inout/makefile b/src/modules/mesh/inout/makefile index 7817608..2f73e73 100644 --- a/src/modules/mesh/inout/makefile +++ b/src/modules/mesh/inout/makefile @@ -1,4 +1,7 @@ -all: gmsh2.o +all: gmsh2.o 0D.o gmsh2.o: $(MAKE) -C gmsh2 all + +0D.o: + $(MAKE) -C 0D all diff --git a/src/modules/mesh/makefile b/src/modules/mesh/makefile index 0adc8f6..a013878 100644 --- a/src/modules/mesh/makefile +++ b/src/modules/mesh/makefile @@ -1,4 +1,4 @@ -all: moduleMesh.o moduleMeshBoundary.o inout.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o +all: moduleMesh.o moduleMeshBoundary.o inout.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o 0D.o 3DCart.o: moduleMesh.o $(MAKE) -C 3DCart all @@ -15,11 +15,14 @@ all: moduleMesh.o moduleMeshBoundary.o inout.o 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DRad.o: moduleMesh.o $(MAKE) -C 1DRad all +0D.o: moduleMesh.o + $(MAKE) -C 0D all + moduleMesh.o: moduleMesh.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleMeshBoundary.o: moduleMesh.o moduleMeshBoundary.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -inout.o: 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o +inout.o: 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o 0D.o $(MAKE) -C inout all diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 8ddee60..53fa341 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -193,7 +193,6 @@ MODULE moduleMesh END SUBROUTINE scatter_interface PURE FUNCTION gatherEF_interface(self, xi) RESULT(EF) - IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) @@ -655,7 +654,7 @@ MODULE moduleMesh END SUBROUTINE doCollisions SUBROUTINE doCoulomb(self) - IMPORT meshParticles + IMPLICIT NONE CLASS(meshParticles), INTENT(inout):: self diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 9d9de19..46c4421 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -779,8 +779,11 @@ MODULE moduleInput CASE("1DCart") mesh%connectMesh => connectMesh1DCart + CASE("0D") + mesh%connectMesh => NULL() + END SELECT - CALL mesh%connectMesh + IF (ASSOCIATED(mesh%connectMesh)) CALL mesh%connectMesh IF (doubleMesh) THEN meshColl%connectMesh => mesh%connectMesh diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index a9efdc4..89df330 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -98,17 +98,14 @@ MODULE moduleOutput OPEN(20, file = path // folder // '/' // fileName, action = 'write') WRITE(20, "(A1, 8X, A1, 9X, A1, 6(A20))") "#","t","n","total","push","reset","collision","weighting","EMField" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - - ELSE + CLOSE(20) END IF - OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - - ELSE - OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') END IF + OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') + WRITE (20, "(I10, I10, 7(ES20.6E3))") t, nPartOld, tStep, tPush, tReset, tColl, tCoul, tWeight, tEMField CLOSE(20) From e25b567d3697184aed889a9e936c72e5bf37762e Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 13 Apr 2021 16:55:50 +0200 Subject: [PATCH 026/203] Now the initial state has the same format as the mesh file, i.e., is easy to use a file from a previous run without processing it into a plain text file. Although the previous method presented some updates for 1D small cases, this is quite easy to do with any type of simulations and, in the future, with different mesh formats. --- doc/user-manual/fpakc_UserManual.pdf | Bin 168123 -> 166920 bytes doc/user-manual/fpakc_UserManual.tex | 21 +--- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 7 -- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 7 -- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 7 -- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 7 -- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 19 +-- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 73 ++++++++++++ src/modules/mesh/moduleMesh.f90 | 25 +++- src/modules/moduleInput.f90 | 108 +++++++++++++----- 10 files changed, 180 insertions(+), 94 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 5f8e76a235c4ac1be1b3650ee9f1268855e71f6d..8e8309bdecbb35d44ad50be138065e6f8295665a 100644 GIT binary patch delta 22881 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z#M2d~`Q_lIk0vZerqtdF6&jMxKmK|1`L|C`)}KFVIi%Bw;mNbpDdcB$Jb!vRwUC~r m$DjT0if?WoKfZnS`n#8}e|h=h`&-BYGuhimk4|4dzx@x+NgOW# diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index a485c95..3249d02 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -618,25 +618,12 @@ make Required values are: \begin{itemize} \item \textbf{speciesName}: Character. - Name of species. + Name of species as defined in the object \textbf{species}. \item \textbf{initialState}: Character. - Plain text file that contains the information about the species macroscopic properties in the grid. - Initial particles are assumed to be Maxwellian. + Output file from previous run used as an initial state for the species. + The file format must be the same as in \textbf{geometry.meshType} + Initial particles are assumed to have a Maxwellian distribution. File must be located at \textbf{output.path}. - The file must contain the following columns in this specific order: - \begin{itemize} - \item \textit{Element}: Integer. - Identifier of the volume in the mesh. - It is not required to specify empty volumes. - \item \textit{Density}: Real. - Species density in $\unit{m^-3}$. - \item \textit{Velocity}: Real. - Three colums representing the initial velocity in each direction. - Units are $\unit{m s^-1}$. - \item \textit{Temperature}: Real. - One column that represents the initial temperature in $\unit{K}$. - - \end{itemize} \end{itemize} \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index a6e4248..73a4c1d 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -36,19 +36,12 @@ MODULE moduleMesh1DCart CONTAINS PROCEDURE, PASS:: detJac => detJ1DCart PROCEDURE, PASS:: invJac => invJ1DCart - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer END TYPE meshVol1DCart ABSTRACT INTERFACE - PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) REAL(8), INTENT(in):: xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 2bd9d5b..d8e5c51 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -36,19 +36,12 @@ MODULE moduleMesh1DRad CONTAINS PROCEDURE, PASS:: detJac => detJ1DRad PROCEDURE, PASS:: invJac => invJ1DRad - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer END TYPE meshVol1DRad ABSTRACT INTERFACE - PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) REAL(8), INTENT(in):: xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 89704d6..c830f8d 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -41,19 +41,12 @@ MODULE moduleMesh2DCart CONTAINS PROCEDURE, PASS:: detJac => detJ2DCart PROCEDURE, PASS:: invJac => invJ2DCart - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer END TYPE meshVol2DCart ABSTRACT INTERFACE - PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) REAL(8), INTENT(in):: xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 2784414..80c0665 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -41,19 +41,12 @@ MODULE moduleMesh2DCyl CONTAINS PROCEDURE, PASS:: detJac => detJ2DCyl PROCEDURE, PASS:: invJac => invJ2DCyl - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer END TYPE meshVol2DCyl ABSTRACT INTERFACE - PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) REAL(8), INTENT(in):: xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index ad5c65d..e65ff25 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -35,19 +35,12 @@ MODULE moduleMesh3DCart CONTAINS PROCEDURE, PASS:: detJac => detJ3DCart PROCEDURE, PASS:: invJac => invJ3DCart - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer END TYPE meshVol3DCart ABSTRACT INTERFACE - PURE FUNCTION fPsi_interface(xii) RESULT(fPsi) - REAL(8), INTENT(in):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(xii) RESULT(dPsi) REAL(8), INTENT(in):: xii(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) @@ -327,18 +320,18 @@ MODULE moduleMesh3DCart END SUBROUTINE volumeTetra !Computes element functions in point xii - PURE FUNCTION fPsiTetra(xii) RESULT(fPsi) + PURE FUNCTION fPsiTetra(xi) RESULT(fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xii(1:3) + REAL(8), INTENT(in):: xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) ALLOCATE(fPsi(1:4)) - fPsi(1) = 1.D0 - xii(1) - xii(2) - xii(3) - fPsi(2) = xii(1) - fPsi(3) = xii(2) - fPsi(4) = xii(3) + fPsi(1) = 1.D0 - xi(1) - xi(2) - xi(3) + fPsi(2) = xi(1) + fPsi(3) = xi(2) + fPsi(4) = xi(3) END FUNCTION fPsiTetra diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 59d7064..35e6fce 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -14,6 +14,7 @@ MODULE moduleMeshInputGmsh2 TYPE IS(meshParticles) self%printOutput => printOutputGmsh2 self%printEM => printEMGmsh2 + self%readInitial => readInitialGmsh2 END SELECT self%readMesh => readGmsh2 @@ -288,4 +289,76 @@ MODULE moduleMeshInputGmsh2 END SUBROUTINE readGmsh2 + !Reads the initial information from an output file for an species + SUBROUTINE readInitialGmsh2(sp, filename, density, velocity, temperature) + USE moduleRefParam + IMPLICIT NONE + + INTEGER, INTENT(in):: sp + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + INTEGER:: i, e + INTEGER:: numNodes + + OPEN(10, file = TRIM(filename)) + + !Skip first lines + DO i = 1, 11 + READ(10, *) + + END DO + + !Reads number of nodes in file + READ(10, *) numNodes + ALLOCATE(density(1:numNodes)) + ALLOCATE(velocity(1:numNodes, 1:3)) + ALLOCATE(temperature(1:numNodes)) + + DO i = 1, numNodes + !Reads the density + READ(10, *), e, density(i) + + END DO + + DO i = 1, 10 + READ(10, *) + + END DO + + DO i = 1, numNodes + !Reads the velocity + READ(10, *), e, velocity(i, 1:3) + + END DO + + !Skip uneccessary lines + DO i = 1, 10 + READ(10, *) + + END DO + + !Assign density to nodes + DO i = 1, numNodes + !Skips pressure + READ(10, *) + + END DO + + !Skip uneccessary lines + DO i = 1, 10 + READ(10, *) + + END DO + + !Assign density to nodes + DO i = 1, numNodes + !Skips pressure + READ(10, *) e, temperature(i) + + END DO + + END SUBROUTINE readInitialGmsh2 + END MODULE moduleMeshInputGmsh2 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 8ddee60..1deb764 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -161,6 +161,7 @@ MODULE moduleMesh PROCEDURE(initVol_interface), DEFERRED, PASS:: init PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos + PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE(scatter_interface), DEFERRED, PASS:: scatter PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK @@ -208,6 +209,12 @@ MODULE moduleMesh END FUNCTION getNodesVol_interface + PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) + REAL(8), INTENT(in):: xi(1:3) + REAL(8), ALLOCATABLE:: fPsi(:) + + END FUNCTION fPsi_interface + PURE FUNCTION elemK_interface(self) RESULT(localK) IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self @@ -271,9 +278,10 @@ MODULE moduleMesh TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) !Array of volume elements TYPE(meshVolCont), ALLOCATABLE:: vols(:) - PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() - PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() - PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() + PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() + PROCEDURE(readInitial_interface), POINTER, NOPASS:: readInitial => NULL() + PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() + PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() CONTAINS PROCEDURE, PASS:: doCollisions @@ -289,6 +297,15 @@ MODULE moduleMesh END SUBROUTINE readMesh_interface + SUBROUTINE readInitial_interface(sp, filename, density, velocity, temperature) + INTEGER, INTENT(in):: sp + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + + END SUBROUTINE readInitial_interface + !Connects volume and edges to the mesh SUBROUTINE connectMesh_interface(self) IMPORT meshGeneric @@ -655,8 +672,6 @@ MODULE moduleMesh END SUBROUTINE doCollisions SUBROUTINE doCoulomb(self) - IMPORT meshParticles - CLASS(meshParticles), INTENT(inout):: self END SUBROUTINE doCoulomb diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 9d9de19..8699f69 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -206,7 +206,6 @@ MODULE moduleInput CALL config%get(object // '.WeightingScheme', WSType, found) CALL solver%initWS(WSType) - !Makes tau(s) non-dimensional tau = tau / ti_ref tauMin = tauMin / ti_ref @@ -219,7 +218,6 @@ MODULE moduleInput !Read initial state for species CALL verboseError('Reading Initial state...') CALL readInitial(config) - CALL checkStatus(config, "readInitial") END SUBROUTINE readCase @@ -237,14 +235,21 @@ MODULE moduleInput LOGICAL:: found CHARACTER(:), ALLOCATABLE:: object INTEGER:: nInitial - INTEGER:: i, p, e + INTEGER:: i, j, p, e CHARACTER(LEN=2):: iString CHARACTER(:), ALLOCATABLE:: spName INTEGER:: sp CHARACTER(:), ALLOCATABLE:: spFile - INTEGER:: stat - CHARACTER(100):: dummy - REAL(8):: density, velocity(1:3), temperature + CHARACTER(:), ALLOCATABLE:: filename + REAL(8), ALLOCATABLE, DIMENSION(:):: density, temperature + REAL(8), ALLOCATABLE, DIMENSION(:,:):: velocity + INTEGER, ALLOCATABLE, DIMENSION(:):: nodes + INTEGER:: nNodes + REAL(8), ALLOCATABLE, DIMENSION(:):: source, fPsi + !Density at the volume centroid + REAL(8):: densityCen + !Mean velocity and temperature at particle position + REAL(8):: velocityXi(1:3), temperatureXi INTEGER:: nNewPart = 0.D0 TYPE(particle), POINTER:: partNew REAL(8):: vTh @@ -260,38 +265,76 @@ MODULE moduleInput CALL config%get(object // '.speciesName', spName, found) sp = speciesName2Index(spName) CALL config%get(object // '.initialState', spFile, found) - OPEN (10, FILE = path // spFile, ACTION = 'READ') - DO - READ(10, '(A)', IOSTAT = stat) dummy - !If EoF, exit reading - IF (stat /= 0) EXIT - !If comment, skip - IF (INDEX(dummy,'#') /= 0) CYCLE - !Go up one line - BACKSPACE(10) - !Read information - READ(10, *) e, density, velocity, temperature + !Reads node values at the nodes + filename = path // spFile + CALL mesh%readInitial(sp, filename, density, velocity, temperature) + !For each volume in the node, create corresponding particles + DO e = 1, mesh%numVols !Scale variables - !Particles in cell volume - nNewPart = INT(density * (mesh%vols(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) - !Non-dimensional velocity - velocity = velocity / v_ref - !Non-dimensional temperature - temperature = temperature / T_ref - !Non-dimensional thermal temperature - vTh = DSQRT(temperature/species(sp)%obj%m) + !Density at centroid of cell + nodes = mesh%vols(e)%obj%getNodes() + nNodes = SIZE(nodes) + !TODO: Procedure to obtain centroid from element (also for printing Electric Field) + fPsi = mesh%vols(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/)) + ALLOCATE(source(1:nNodes)) + DO j = 1, nNodes + source(j) = density(nodes(j)) + + END DO + densityCen = DOT_PRODUCT(fPsi, source) + DEALLOCATE(fPsi) + + !Calculate number of particles + nNewPart = INT(densityCen * (mesh%vols(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) + !Allocate new particles DO p = 1, nNewPart ALLOCATE(partNew) partNew%species => species(sp)%obj - partNew%v(1) = velocity(1) + vTh*randomMaxwellian() - partNew%v(2) = velocity(2) + vTh*randomMaxwellian() - partNew%v(3) = velocity(3) + vTh*randomMaxwellian() - partNew%vol = e partNew%r = mesh%vols(e)%obj%randPos() partNew%xi = mesh%vols(e)%obj%phy2log(partNew%r) - partNew%n_in = .TRUE. - partNew%weight = species(sp)%obj%weight + !Get mean velocity at particle position + fPsi = mesh%vols(e)%obj%fPsi(partNew%xi) + DO j = 1, nNodes + source(j) = velocity(nodes(j), 1) + + END DO + velocityXi(1) = DOT_PRODUCT(fPsi, source) + DO j = 1, nNodes + source(j) = velocity(nodes(j), 2) + + END DO + velocityXi(2) = DOT_PRODUCT(fPsi, source) + DO j = 1, nNodes + source(j) = velocity(nodes(j), 3) + + END DO + velocityXi(3) = DOT_PRODUCT(fPsi, source) + + velocityXi = velocityXi / v_ref + + !Get temperature at particle position + DO j = 1, nNodes + source(j) = temperature(nodes(j)) + + END DO + temperatureXi = DOT_PRODUCT(fPsi, source) + temperatureXi = temperatureXi / T_ref + + vTh = DSQRT(temperatureXi / species(sp)%obj%m) + partNew%v(1) = velocityXi(1) + vTh*randomMaxwellian() + partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() + partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() + partNew%vol = e + IF (ASSOCIATED(meshForMCC, mesh)) THEN + partNew%volColl = partNew%vol + + ELSE + partNew%volColl = findCellBrute(meshColl, partNew%r) + + END IF + partNew%n_in = .TRUE. + partNew%weight = species(sp)%obj%weight !If charged species, add qm to particle SELECT TYPE(sp => species(sp)%obj) TYPE IS (speciesCharged) @@ -305,8 +348,11 @@ MODULE moduleInput !Assign particle to temporal list of particles CALL partInitial%add(partNew) + END DO + DEALLOCATE(source) + END DO END DO From f1d74d954c2131a5406872482a60342b4a7b80b4 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 13 Apr 2021 17:40:33 +0200 Subject: [PATCH 027/203] Implementation of 0D dummy pusher and modifications to input parameters to allow 0D runs. --- src/makefile | 5 ++++- src/modules/mesh/0D/moduleMesh0D.f90 | 7 +++++++ src/modules/moduleInput.f90 | 4 ++++ src/modules/moduleSolver.f90 | 14 ++++++++++++++ 4 files changed, 29 insertions(+), 1 deletion(-) diff --git a/src/makefile b/src/makefile index 75795c8..3a6d68a 100644 --- a/src/makefile +++ b/src/makefile @@ -5,11 +5,14 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ + $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ $(OBJDIR)/moduleMesh2DCyl.o \ $(OBJDIR)/moduleMesh2DCart.o \ $(OBJDIR)/moduleMesh1DRad.o \ - $(OBJDIR)/moduleMesh1DCart.o + $(OBJDIR)/moduleMesh1DCart.o \ + $(OBJDIR)/moduleMesh0D.o + all: $(OUTPUT) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 3b84448..bc86719 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -31,6 +31,7 @@ MODULE moduleMesh0D !NODE FUNCTIONS !Init node SUBROUTINE initNode0D(self, n, r) + USE moduleSpecies IMPLICIT NONE CLASS(meshNode0D), INTENT(out):: self @@ -39,6 +40,8 @@ MODULE moduleMesh0D self%n = n + ALLOCATE(self%output(1:nSpecies)) + END SUBROUTINE initNode0D !Get node coordinates @@ -81,6 +84,10 @@ MODULE moduleMesh0D CLASS(meshVol0D), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) + ALLOCATE(n(1:1)) + + n = self%n1%n + END FUNCTION getNodes0D FUNCTION randPos0D(self) RESULT(r) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 46c4421..5272206 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -714,6 +714,7 @@ MODULE moduleInput SUBROUTINE readGeometry(config) USE moduleMesh USE moduleMeshInputGmsh2, ONLY: initGmsh2 + USE moduleMeshInput0D, ONLY: init0D USE moduleMesh3DCart, ONLY: connectMesh3DCart USE moduleMesh2DCyl, ONLY: connectMesh2DCyl USE moduleMesh2DCart, ONLY: connectMesh2DCart @@ -744,6 +745,9 @@ MODULE moduleInput CALL initGmsh2(mesh) IF (doubleMesh) CALL initGmsh2(meshColl) + CASE ("0D") + CALL init0D(mesh) + CASE DEFAULT CALL criticalError("Mesh format " // meshFormat // " not recogniced", "readGeometry") diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 089ae71..84fa4e2 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -102,6 +102,9 @@ MODULE moduleSolver CASE('1DRadCharged') self%pushParticle => push1DRadCharged + CASE('0D') + self%pushParticle => push0D + CASE DEFAULT CALL criticalError('Pusher ' // pusherType // ' not found','initPusher') @@ -483,6 +486,17 @@ MODULE moduleSolver END SUBROUTINE push1DRadCharged + !Dummy pusher for 0D geometry + PURE SUBROUTINE push0D(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + + END SUBROUTINE push0D + SUBROUTINE doReset() USE moduleSpecies USE moduleMesh From a681b9f5331c0cb0e5e487551260ef1d200190c9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 13 Apr 2021 21:48:44 +0200 Subject: [PATCH 028/203] 0D Grid geometry Implementation of the 0D grid to test collisional processes. An OMP_LOCK was added to the nodes to properly write perform the scattering (it is weird that multiple threads work in the same node at the same time, but in 0D happens everytime). Added a new case to test the 0D geometry. User Manual updated with the new options. --- doc/user-manual/fpakc_UserManual.pdf | Bin 166920 -> 169523 bytes doc/user-manual/fpakc_UserManual.tex | 39 ++++++-- runs/0D_Argon/Argon+_Initial.dat | 2 + runs/0D_Argon/Argon_Initial.dat | 2 + runs/0D_Argon/input.json | 54 ++++++++++++ src/modules/mesh/0D/moduleMesh0D.f90 | 18 ++-- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 28 ++++-- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 28 ++++-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 83 +++++++++++------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 83 +++++++++++------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 48 ++++++---- .../mesh/inout/0D/moduleMeshInput0D.f90 | 34 +++++++ .../mesh/inout/0D/moduleMeshOutput0D.f90 | 19 +++- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 1 - src/modules/mesh/moduleMesh.f90 | 2 + src/modules/moduleCollisions.f90 | 1 - src/modules/moduleInput.f90 | 16 +++- src/modules/moduleOutput.f90 | 4 +- 18 files changed, 348 insertions(+), 114 deletions(-) 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z$^bkhqC6SYltu2%;Px3DnGp(rn=Djh2k*wvG;m<2Ip}gv1`Z1UhKIo%VDCaX88~tx z6GU*^Lq&NvSZK(*2OPLcVK}7FVj%&z8Pb#l3VcRqR0a#8HOeW-VDCZlk!ipEU>FE^ zbAh}I2gfpSm_Z4HYaygrLB@%EWdrsIGIAAwHwSpQd?-W5;9$EvScBgg+1gvWvhCR; zyi3pa9J8e`D5VzvG#0bf7>idXsmQ4)9{^h?RtdZ$At=HZMR+BWA~>XC75DA=|KvEu f1`0m7xtqGWd%Id%vEjg#3Kq{MCZ=*&mF@olMMf0U diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index 3249d02..ae5455f 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -10,6 +10,7 @@ \usepackage[block=ragged,backend=bibtex]{biblatex} \usepackage[acronym,toc,automake]{glossaries} \usepackage[hidelinks]{hyperref} +\usepackage[version=4]{mhchem} \hypersetup{ breaklinks = true, % Allows break links in lines colorlinks = true, % Colours links instead of ugly boxes @@ -373,14 +374,22 @@ make \begin{itemize} \item \textbf{3DCart}: Three-dimensional grid ($x \hyphen y \hyphen z$) in Cartesian coordinates.. For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. - \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. + \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. + For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. \item \textbf{2DCart}: Two-dimensional grid ($x \hyphen y$) in Cartesian coordinates.. For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $x$ and $y$ respectively. - \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. + \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. \item \textbf{1DCart}: One-dimensional grid ($x$) in Cartesian coordinates For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. + \item \textbf{0D}: Zero dimension ficticius volume. + Geometry used mostly to test collisional effects. + No boundary or EM field is solved. + No injection can be implemented. + Initial state must be read from file. + No mesh file is required. + The optional argument \textbf{geometry.volume} can be used to set a ficticius volume. + Otherwise, the volume is set to 1 in non-dimensional units. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. @@ -391,6 +400,10 @@ make \item \textbf{meshFile}: Character. Mesh filename. This file is searched in the path \textbf{output.path} and must contain the file extension. + \item \textbf{volume}: Real + Units of $\unit{m^-3}$. + Used to set a ficticius volume for the \textbf{0D} geometry. + Ignored in the other cases. \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -589,14 +602,16 @@ make \begin{itemize} \item \textbf{3DCartNeutral}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) without any external force. \item \textbf{3DCartCharged}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) including the effect of the electrostatic field. - \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. - \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. + \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. + \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. \item \textbf{2DCartNeutral}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) without any external force. \item \textbf{2DCartCharged}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) including the effect of the electrostatic field. - \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. - \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. + \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. + \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. \item \textbf{1DCartNeutral}: Pushes particles in a 1D Cartesian space ($x$) without any external force. \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space ($x$) accounting the the electrostatic field. + \item \textbf{0D}: Dummy pusher for 0D geometry. + No pushing is actually done. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. @@ -683,11 +698,19 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Example runs\label{ch:exampleRuns}} + This chapter presents a description of the different example files distributed with \acrshort{fpakc}. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} Emission from a 1D cathond in both, cartesian and radial coordinates. Both cases insert the same amount of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifiying some parameters in the input file. The same mesh file (\lstinline|mesh.msh|) is used for both cases. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{0D \ce{Ar}-\ce{Ar+} Elastic Collision (0D\_Argon)} + Test case to check the 0D geometry that includes the elastic collision between \ce{Ar} and \ce{Ar+}. + Initial states are readed from the Argon\_Initial.dat and Argon+\_Initial.dat %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{ALPHIE Grid system (ALPHIE\_Grid)} diff --git a/runs/0D_Argon/Argon+_Initial.dat b/runs/0D_Argon/Argon+_Initial.dat new file mode 100644 index 0000000..75375d1 --- /dev/null +++ b/runs/0D_Argon/Argon+_Initial.dat @@ -0,0 +1,2 @@ + # t density velocity pressure temperature + 0 1.0E+16 0.0E+0 0.0E+0 0.0E+0 0 3000 diff --git a/runs/0D_Argon/Argon_Initial.dat b/runs/0D_Argon/Argon_Initial.dat new file mode 100644 index 0000000..8aa604f --- /dev/null +++ b/runs/0D_Argon/Argon_Initial.dat @@ -0,0 +1,2 @@ + # t density velocity pressure temperature + 0 1.0E+16 0.0E+0 0.0E+0 0.0E+0 0 300 diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json new file mode 100644 index 0000000..8e62d2a --- /dev/null +++ b/runs/0D_Argon/input.json @@ -0,0 +1,54 @@ + +{ + "output": { + "path": "./runs/0D_test/", + "triggerOutput": 1, + "cpuTime": true, + "numColl": true, + "EMField": true, + "folder": "test" + }, + "reference": { + "density": 1.0e16, + "mass": 6.633e-26, + "temperature": 11604.0, + "radius": 1.88e-10 + }, + "geometry": { + "type": "1DCart", + "meshType": "0D", + "meshFile": "mesh.msh", + "volume": 1e-11 + }, + "species": [ + {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e0}, + {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} + ], + "case": { + "tau": [1.0e-6, 1.0e-6], + "time": 1.0e-3, + "pusher": ["0D", "0D"], + "initial": [ + {"speciesName": "Argon+", "initialState": "Argon+_Initial.dat"}, + {"speciesName": "Argon", "initialState": "Argon_Initial.dat"} + ] + }, + "interactions": { + "folderCollisions": "./data/collisions/", + "collisions": [ + {"species_i": "Argon", "species_j": "Argon", + "cTypes": [ + {"type": "elastic", "crossSection": "EL_Ar-Ar.dat"} + ]}, + {"species_i": "Argon+", "species_j": "Argon", + "cTypes": [ + {"type": "elastic", "crossSection": "EL_Ar-Ar.dat"} + ]} + ] + }, + "parallel": { + "OpenMP":{ + "nThreads": 5 + } + } +} diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index e945f25..f51efd2 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -33,6 +33,7 @@ MODULE moduleMesh0D !Init node SUBROUTINE initNode0D(self, n, r) USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshNode0D), INTENT(out):: self @@ -43,6 +44,8 @@ MODULE moduleMesh0D ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode0D !Get node coordinates @@ -113,19 +116,24 @@ MODULE moduleMesh0D SUBROUTINE scatter0D(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol0D), INTENT(in):: self CLASS(particle), INTENT(in):: part REAL(8):: tensorS(1:3,1:3) - TYPE(outputNode), POINTER:: vertex + CLASS(meshNode), POINTER:: node + INTEGER:: sp tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight - vertex%mom(:) = vertex%mom(:) + part%weight*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*tensorS + node => self%n1 + sp = part%species%n + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatter0D diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 73a4c1d..e96150c 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -91,6 +91,7 @@ MODULE moduleMesh1DCart SUBROUTINE initNode1DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode1DCart), INTENT(out):: self @@ -105,6 +106,8 @@ MODULE moduleMesh1DCart !Allocates output ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode1DCart PURE FUNCTION getCoord1DCart(self) RESULT(r) @@ -378,26 +381,33 @@ MODULE moduleMesh1DCart SUBROUTINE scatterSegm(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol1DCartSegm), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:2) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterSegm diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d8e5c51..99b3331 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -92,6 +92,7 @@ MODULE moduleMesh1DRad SUBROUTINE initNode1DRad(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode1DRad), INTENT(out):: self @@ -106,6 +107,8 @@ MODULE moduleMesh1DRad !Allocates output ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode1DRad PURE FUNCTION getCoord1DRad(self) RESULT(r) @@ -390,26 +393,33 @@ MODULE moduleMesh1DRad SUBROUTINE scatterRad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol1DRadSegm), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:2) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterRad diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index c830f8d..36a182a 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -130,6 +130,7 @@ MODULE moduleMesh2DCart SUBROUTINE initNode2DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode2DCart), INTENT(out):: self @@ -145,6 +146,8 @@ MODULE moduleMesh2DCart !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode2DCart !Get coordinates from node @@ -494,36 +497,47 @@ MODULE moduleMesh2DCart SUBROUTINE scatterQuad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterQuad @@ -854,31 +868,40 @@ MODULE moduleMesh2DCart SUBROUTINE scatterTria(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:3) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTria diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 80c0665..d4e06bd 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -131,6 +131,7 @@ MODULE moduleMesh2DCyl SUBROUTINE initNode2DCyl(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode2DCyl), INTENT(out):: self @@ -146,6 +147,8 @@ MODULE moduleMesh2DCyl !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode2DCyl !Get coordinates from node @@ -515,36 +518,47 @@ MODULE moduleMesh2DCyl SUBROUTINE scatterQuad(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCylQuad), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterQuad @@ -884,31 +898,40 @@ MODULE moduleMesh2DCyl SUBROUTINE scatterTria(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol2DCylTria), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:3) REAL(8):: tensorS(1:3,1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTria diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index e65ff25..8c6e350 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -92,6 +92,7 @@ MODULE moduleMesh3DCart SUBROUTINE initNode3DCart(self, n, r) USE moduleSpecies USE moduleRefParam + USE OMP_LIB IMPLICIT NONE CLASS(meshNode3DCart), INTENT(out):: self @@ -108,6 +109,8 @@ MODULE moduleMesh3DCart !Allocates output: ALLOCATE(self%output(1:nSpecies)) + CALL OMP_INIT_LOCK(self%lock) + END SUBROUTINE initNode3DCart !Get coordinates from node @@ -481,36 +484,47 @@ MODULE moduleMesh3DCart SUBROUTINE scatterTetra(self, part) USE moduleMath USE moduleSpecies + USE OMP_LIB IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self CLASS(particle), INTENT(in):: part - TYPE(outputNode), POINTER:: vertex REAL(8):: w_p(1:4) REAL(8):: tensorS(1:3, 1:3) + CLASS(meshNode), POINTER:: node + INTEGER:: sp w_p = self%weight(part%xi) tensorS = outerProduct(part%v, part%v) - vertex => self%n1%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(1) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(1)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(1)*tensorS + sp = part%species%n + node => self%n1 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n2%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(2) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(2)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(2)*tensorS + node => self%n2 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n3%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(3) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(3)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(3)*tensorS + node => self%n3 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS + CALL OMP_UNSET_LOCK(node%lock) - vertex => self%n4%output(part%species%n) - vertex%den = vertex%den + part%weight*w_p(4) - vertex%mom(:) = vertex%mom(:) + part%weight*w_p(4)*part%v(:) - vertex%tensorS(:,:) = vertex%tensorS(:,:) + part%weight*w_p(4)*tensorS + node => self%n4 + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS + CALL OMP_UNSET_LOCK(node%lock) END SUBROUTINE scatterTetra diff --git a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 index 678671a..5ac0682 100644 --- a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 @@ -19,6 +19,7 @@ MODULE moduleMeshInput0D TYPE IS(meshParticles) self%printOutput => printOutput0D self%printEM => printEM0D + self%readInitial => readInitial0D END SELECT self%readMesh => read0D @@ -63,4 +64,37 @@ MODULE moduleMeshInput0D END SUBROUTINE read0D + SUBROUTINE readInitial0D(sp, filename, density, velocity, temperature) + IMPLICIT NONE + + INTEGER, INTENT(in):: sp + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + REAL(8):: dummy + INTEGER:: stat + + ALLOCATE(density(1:1)) + ALLOCATE(velocity(1:1, 1:3)) + ALLOCATE(temperature(1:1)) + + OPEN(10, file = TRIM(filename)) + + !Finds the last line of data + stat = 0 + DO WHILE (stat==0) + READ(10, *, iostat = stat) + + END DO + + !Go back two line + BACKSPACE(10) + BACKSPACE(10) + + !Reads data + READ(10, *) dummy, density(1), velocity(1, 1:3), dummy, temperature(1) + + END SUBROUTINE readInitial0D + END MODULE moduleMeshInput0D diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 6e490b4..db52de4 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -18,7 +18,8 @@ MODULE moduleMeshOutput0D fileName='OUTPUT_' // species(i)%obj%name // '.dat' IF (t == 0) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') - WRITE(20, "(A1, 8X, A1, 6(A20))") "#","t","density", "velocity", "pressure", "temperature" + WRITE(20, "(A1, 14X, A5, A20, 40X, A20, 2(A20))") "#","t (s)","density (m^-3)", "velocity (m/s)", & + "pressure (Pa)", "temperature (K)" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName CLOSE(20) @@ -26,7 +27,7 @@ MODULE moduleMeshOutput0D OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') CALL calculateOutput(self%nodes(1)%obj%output(i), output, self%nodes(1)%obj%v, species(i)%obj) - WRITE(20, "(I10, 6(ES20.6E3))") t, output%density, output%velocity, output%pressure, output%temperature + WRITE(20, "(7(ES20.6E3))") REAL(t)*tauMin*ti_ref, output%density, output%velocity, output%pressure, output%temperature CLOSE(20) END DO @@ -43,6 +44,20 @@ MODULE moduleMeshOutput0D CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t + CHARACTER(:), ALLOCATABLE:: fileName + + fileName='OUTPUT_Collisions.dat' + IF (t == 0) THEN + OPEN(20, file = path // folder // '/' // fileName, action = 'write') + WRITE(20, "(A1, 14X, A5, A20)") "#","t (s)","collisions" + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + CLOSE(20) + + END IF + + OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') + WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, mesh%vols(1)%obj%nColl + CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index b446d76..d6fe4d7 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -292,7 +292,6 @@ MODULE moduleMeshInputGmsh2 !Reads the initial information from an output file for an species SUBROUTINE readInitialGmsh2(sp, filename, density, velocity, temperature) - USE moduleRefParam IMPLICIT NONE INTEGER, INTENT(in):: sp diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 304dd86..1f6c795 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -20,6 +20,8 @@ MODULE moduleMesh !Output values TYPE(outputNode), ALLOCATABLE:: output(:) TYPE(emNode):: emData + !Lock indicator for scattering + INTEGER(KIND=OMP_LOCK_KIND):: lock CONTAINS PROCEDURE(initNode_interface), DEFERRED, PASS:: init PROCEDURE(getCoord_interface), DEFERRED, PASS:: getCoordinates diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 73871ce..a2c48ca 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -193,7 +193,6 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vCM REAL(8):: vp(1:3) - !eRel (in units of [m][L]^2[t]^-2 vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 eRel = self%rMass*vRel**2 sigmaVrel = self%crossSec%get(eRel)*vRel diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index fed9228..27cb16e 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -348,7 +348,6 @@ MODULE moduleInput !Assign particle to temporal list of particles CALL partInitial%add(partNew) - END DO DEALLOCATE(source) @@ -768,6 +767,7 @@ MODULE moduleInput USE moduleMesh1DCart, ONLY: connectMesh1DCart USE moduleErrors USE moduleOutput + USE moduleRefParam USE json_module IMPLICIT NONE @@ -776,6 +776,7 @@ MODULE moduleInput LOGICAL:: doubleMesh CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile CHARACTER(:), ALLOCATABLE:: fullPath + REAL(8):: volume !Firstly, indicates if a specific mesh for MC collisions is being use doubleMesh = ASSOCIATED(meshForMCC, meshColl) @@ -792,6 +793,7 @@ MODULE moduleInput IF (doubleMesh) CALL initGmsh2(meshColl) CASE ("0D") + CALL config%get('geometry.meshType', meshFormat, found) CALL init0D(mesh) CASE DEFAULT @@ -812,6 +814,18 @@ MODULE moduleInput END IF + !Gets the volume for a 0D mesh + !TODO: Try to constrain this to the inout for 0D + IF (meshFormat == "0D") THEN + CALL config%get('geometry.volume', volume, found) + IF (found) THEN + mesh%vols(1)%obj%volume = mesh%vols(1)%obj%volume*volume / Vol_ref + mesh%nodes(1)%obj%v = mesh%vols(1)%obj%volume + + END IF + + END IF + !Creates the connectivity between elements SELECT CASE(mesh%geometry) CASE("3DCart") diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 89df330..4a3f4da 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -96,7 +96,9 @@ MODULE moduleOutput IF (PRESENT(first)) THEN IF (first) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') - WRITE(20, "(A1, 8X, A1, 9X, A1, 6(A20))") "#","t","n","total","push","reset","collision","weighting","EMField" + WRITE(20, "(A1, 8X, A1, 9X, A1, 7(A20))") "#","t","n","total (s)","push (s)","reset (s)", & + "collision (s)","coulomb (s)", & + "weighting (s)","EMField (s)" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName CLOSE(20) From b40d867d74c44da5746f3f30aaabc552c5c31889 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 13 Apr 2021 21:51:08 +0200 Subject: [PATCH 029/203] Removed innnecesary input from input file --- runs/0D_Argon/input.json | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json index 8e62d2a..6940f77 100644 --- a/runs/0D_Argon/input.json +++ b/runs/0D_Argon/input.json @@ -3,9 +3,7 @@ "output": { "path": "./runs/0D_test/", "triggerOutput": 1, - "cpuTime": true, "numColl": true, - "EMField": true, "folder": "test" }, "reference": { @@ -17,7 +15,6 @@ "geometry": { "type": "1DCart", "meshType": "0D", - "meshFile": "mesh.msh", "volume": 1e-11 }, "species": [ @@ -48,7 +45,7 @@ }, "parallel": { "OpenMP":{ - "nThreads": 5 + "nThreads": 4 } } } From 7dccba590650e740bc09bde29ec0b966e5130290 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 14 Apr 2021 20:56:53 +0200 Subject: [PATCH 030/203] The normal vector in an injection is now normalized to 1 and it is no longer responsability of the user to ensure that the norm is 1. This is a very simple fix and I do not why I did not implemented early. --- doc/user-manual/fpakc_UserManual.pdf | Bin 169523 -> 169476 bytes doc/user-manual/fpakc_UserManual.tex | 3 ++- src/modules/moduleInject.f90 | 6 +++--- 3 files changed, 5 insertions(+), 4 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index b831bbaaed8512a866c49edfa1170d2422a88ea7..3deffbbd0ec2212ad17decde297d989f0c2a90d8 100644 GIT binary patch delta 17949 zcmb8W2RPRM_djkYME1@I$-MWV%#37YM)uxRw&IRTWY61-lodjDMr37Xl#H^<%E}%| zznAyty}DoT>-vBHx~|G`p3ifhXFSfhtGtNnei2ovHwBU`voVmGxC9-GIAHvyX)evt zCdu|((aO4Ay|P6olk4EZ^h}aRjNn64=V6>~J=YPj482`mc_D@02+p`OPN0o`_ETzf zKBo~(q;upfWQdp;CVuyFzZ6nxYfH@ZYI##XB#Wote#!5Wa)^q7&9xo%XbAfWr_>=oY{(+$|>y>frdZ_!W- z&z3Ir|8x}neyv0d_hWNKb4zVszI6MS*U`1~k4AweIeKdXns<&UaVktVugOymr7X_x zrOuSB*xYFNyezO{8MC;8bNAthKJkQ?c|e*m^~$4uQF;Zl&8MDBC!gH8kg>)-vD?fx z(C}%M7iO8Ua%SjBk$%i5ou}|h@rOgl*RHEb$r?sXEWcNu_YW%B+vxjKb%n)?ZKo@2 zUO$c%R;N@(3Q|%RL_ftV_*uxuKP>$ zzg)2%9jam>d#t2D;-1>k?NDGQy*zg-e835UfWD`jb}YIwT$uO`C(~+_6_A^qL|buz zL3Tg#Mne#kITl`Ssba4qRqA1NS4zj2?e94+i!fFiA5gZ z_I$-2jHc&Pl%8r3W~^QjER^$A+B-)bvO;7fLeyFWZQ!R_Ix4^TYe&_Tab~e!v1n)^ zeD$1gD={V&R^4zn3KvbT1vxj>N3nx`+$k4?C;v|S6EhsXN}b-i*Sznm7q5*SCZmlEORobflqOr#?#}?yZpvIrrVrH_0>X z4bROCltU>}t?ek8J`H|0F(T9SRU_e5V#7<$Q93z+3>(U<^#&Z3Liake@dKeDXI=^1 zG@TJuub^kimws)zVITP1PbB8{C8@uuLLJW4babqBZipfnePl!6BYW9`Z z6H@sii^=xb+=5;l>vxV)luuArmPu#tiytfs-!%*CUNn{3o+u^?v$aCFvDGtwM#eKv zZ`{R6#RjPOopGM)ZnMz&5p@e9Ec(TytEIs@H2bYx+1uc!E5c_~pDH1KnxaxOVn!2R z9#I|e?7TkHrU-k&WzxdNtlq?DE)a7jnA2$B?FY@LD?}}&OSp^H9B0;9NYBez`7p!? z-d~{gbT}D&-twY_{u{aAA6xyrt&k1agWlYS_xjjkGH0%Z_MEnCb1u=MkLB;p<%9NK zLs&kv_{b@@6>A+wDuxv@N*bPi%%yvUOLr;7nqpE>q13(Aah5mOJbS^Eh@0nWwE_Lj ziqlYKy}%Qs5kZGI?G?rf@|EOHxZ^Sp>Zvh9cHEPOwYwkQW)xGOT??OR)|~LHynyGf zu~*6Lq=4?Lr=t2hJI*Ha)+V!ZD=DgpbhIuA({-EJ3b%awxrxC0E4HSts1XxAyZ=Tr zS(33QV*5N1H|ob66F+CKiiW0oRs4N!2J~ay8A*rNs_1leT!f)j(8m;m)==bbd%Xf@! zcklM-riN(=5O~oAH@DBcd47%c8~2@qC*%wh*L6XR&D1wL$X2_E#E}30r4;9-6RI3 zfF9lK8cF%{udiLiIOoir?W-_Je$8mFcJsXfwA$3XVNC5b?##4F>!W0aPr5ZGt{PHu zluNpYu*2-HVsT%$*f%xD9#{5&uR~%9D>3Ua{ zfB4d-R3?%dhS9%dqowq?H^r*Cs44%pKX**)++|4v%Iwk0GWOCVd5QUE9di5f@VP#* z@0bHkyolFe7Ebu-%{<<+;Ht&750`ay7C%Be5zg`L=jcL$U-n)({3(B#l-6bW(ym2N zHeLJMOS=>_{p;<0OFg@Ylg2bHL<+;!QqeXfWpZaO?!ZR+Ea~YtaXJ~x8SmqWq85@K zxW>g|9mQ^YBKnA3v*edQynQBe;bq`q;m2M%n!}dq&vS>k&GOAjbG_=qk2!s(FF!uJ zW3{B#+SgA$by}Iy7Yl$JcKe%}*#jACsVv zb<|fJQyfo^H)v826+U4fsuxTy^cg|=R_w9v>LTCF@?lY`*=kO7vZ(7+-P=_P`Z6PI z{hCWagMyc(5pFWpwD+vSg|06bh;Nd=mo z?0M_zrH8G~9XWG;9toIF57|$?Lrc^KXbyW>*cri+A|j_WsFTdQu5}DV&mA=M8swA2X8(P`RdC3thEyieDLDtVldf^tR^{#Kd@1tgoyp%*US9 z`pk~3cye{z>(>KhL47q{BKiIeGOs0DB$Fo|h4^7CEO59XniCrJJp4`#jvhVIyGPnn z;^K*V`T5dS36Y7bxp96JGH0U(_LZbB6zLQX{w$Rlm1vPP95eZ}r}W_}#rL_;qiy|_J#qW(vo4F>eVw>7)eAqZEct3Z z^!EdlLzwcfJ*d{J;+He!4?p9iwM&J&`-CF20RK?A`aPoe3sRMP1|J!Et~TrEIV~XuF*;K zbe%@#J>Q)B`uXPKs~0y$JvEcc@LnnFX9hLKPS3IAU6SLl?;uhT`k5_q?U{t_#4=n| zDql}zCW9xB!zWccCsFZ&>%{g2xAp{ety}tAdm%O7lHG8hDqc2JrOl;me;#{qf2Hc1 z>+;BtjS6k6nT+{eU6xpm?=_8LIw70s1vkE=jgR|0$iRKJj9p*gHGrDiUkJYU$~uiV zV$#sh+%=eTGr_9CT!Mq`6BAQFP5)R4u_$kRIZ9sKpH<|mbU>t3VYkrhK-nvo#|9Of zg)DYnvt6vXg@Z8DS|d@8D_NJiSHIW&Tq|V>_E_H;J=M1ylH0@GEN0x+s-Gkk!v9RT zllBu0UUJExEw-L(+VED|VOiU^AFb6Nb!5%rvk_=XjXycNLullA0`^1MSf=032UcWRUG>00Ce5!v z<6n_a9!1m}t6x(Ud>`Od+b=Gd8!!}lM)vAW|6u_lN#tr&q;@#{#ekV-9dVb6i1kbx zm1tB}POT@X@Hov0E|83M>8hqTp14}ZlQ7S@`Qnu!!#kY0l0%y{SvOZM3svuzt)iWn zzQBO{&C8^h&mF!pUKr7D@3MI9wS{ZZB6@GAB34|T*}rTBsb8}{N)#K&kX+OlsZ8Rc zcT>9<7wP(;?uxlP^@R(ga*^BCLd?wh{XN7z9$db>Bcng@P2x~-bl4sraEKeD!utsyS1%gf=eeY*#GREuUS7DoP(U+zhTlC6(-Crp?_APgmT<#bktG{?QhgiaE_N0r;VPeZ zE?yYz*{toe|7uH|y|J{?rI^i`nUVRE^w&>T-E4%dt(%R9=Pg@HS1RCd?p97zFf57} z!h8HTI0gla&t6r+b>8CYpx924$_beC3x;(VG!sNmu%yWr|U*!xvlhW1f zpQJ}FuZy0qc6}=_BBEu}AyYhoyzNxdgO|j&@6KDr%m*Kd{(615x?CMyB#k?0G4c

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z42t-tI{urNP&D9oqDP=;Fj@r;1D*jrj391l03VVV1s>7M*&jN!wC}x0V07yABkhmaCfEf&ALZD`VA3+n(JHVuZ0YyKs z@g&|*0}FoG-`4uKZ~{bNv?S65Fg}+WIh=HcyTZ9@xuFMvX#X$1vUb<}A8 EAL3*DDF6Tf diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index ae5455f..adaf454 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -547,13 +547,14 @@ make \begin{itemize} \item \textbf{A}: Ampere. \item \textbf{sccm}: Standard cubic centimeter. + \item \textbf{part/s}: Particles (real) per second. \end{itemize} \item \textbf{v}: Real. Module of velocity vector, in $\unitfrac{m}{s}$. \item \textbf{n}: Real. Array dimension $3$. Direction of injection. - Norm of vector must be equal $1$. + This vector is normalized to $1$. \item \textbf{velDist}: Character. Array dimension $3$. Type of distribution function used to obtain injected particle velocity: diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 4ce168c..8c8f65d 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -89,9 +89,9 @@ MODULE moduleInject INTEGER:: nVolColl self%id = i - self%vMod = v/v_ref - self%n = n - self%T = T/T_ref + self%vMod = v / v_ref + self%n = n / NORM2(n) + self%T = T / T_ref self%species => species(sp)%obj SELECT CASE(units) CASE ("sccm") From f20cb35fc56694ce7f181d75e81592fea0784594 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 15 Apr 2021 09:47:19 +0200 Subject: [PATCH 031/203] Small modification in input for initial case. Names have been simplified. 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zhDV7MUqXSTx6Nc$Jm$OHk>(?7CX3Sc=pp#?U`6d8RkXEM(6)*wmIvOQF{A zkz14&>0PJL(>@Fc$sGz!Cli=MfDwcaWv)WVvqqISTn?ONhdZSDA|N`Ba?Ckq5C?@z zR(QI}iPp$@Dnik+6GHcDQXW;P!19k62z6zL>d&;z02s0L0tco6R@exJmQ^U3@4>0 zA}XNkeH0MvNRJLgI-HvVn3i0bs1WQl{9=y|JQ(JbfYxZfLdax-xb^a40b@~Kw$w3S zE&`$>Z>v!9&<=@>fHtT&8)S#H7EQjCI1tN_#u6{3Zu)dCg)yoYZ67~wl)W-)t(IC5 zeF@7I^f|I2&>p&=kG9uA9jQe38>ouQ@B!`xi#}eDPHqSemBJitB||{5;X(}%Hw2Md zxF@4KG40X!`SQZ?ru{{oHg4LudBYYRHly+0;u>zOGd@4Ke*NIC a-IFuB_s(qJF^GF1m-FD7HJd-RW$-_qW Date: Sat, 17 Apr 2021 10:45:52 +0200 Subject: [PATCH 032/203] Implementation of initial iteration. An initial simulation time can be provided in the input file. This is useful when restarting a simulation from a previous file. 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Defines the different time steps for each species. Even if all time steps are equal, they need to be defined as an array. - \item \textbf{time}: Real. - Total simulation time in $\unit{s}$. + \item \textbf{finalTime}: Real. + Units of $\unit{s}$. + Final simulation time. + \item \textbf{initialTime}: Real. + Units of $\unit{s}$. + Initial simulation time. + If no value is provided, the initial time is set to $\unit[0]{s}$. \item \textbf{pusher}: Character. Array dimension 'number of species'. Indicates the type of pusher used for each species: diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 4028ba9..308a0b5 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -11,7 +11,7 @@ PROGRAM fpakc IMPLICIT NONE ! t = time step - INTEGER:: t = 0 + INTEGER:: t ! arg1 = Input argument 1 (input file) CHARACTER(200):: arg1 ! inputFile = path+name of input file @@ -26,6 +26,8 @@ PROGRAM fpakc !Reads the json configuration file CALL readConfig(inputFile) + !Do '0' iteration + t = tInitial !$OMP PARALLEL DEFAULT(SHARED) !$OMP SINGLE @@ -45,7 +47,7 @@ PROGRAM fpakc CALL doOutput(t) CALL verboseError('Starting main loop...') !$OMP PARALLEL DEFAULT(SHARED) - DO t = 1, tmax + DO t = tInitial + 1, tFinal !Insert new particles and push them !$OMP SINGLE tStep = omp_get_wtime() diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 43b1ef8..92d4a5b 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -29,7 +29,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$EndMeshFormat' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Density ' // species(i)%obj%name // ' (m^-3)"' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 @@ -43,7 +43,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$EndNodeData' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Velocity ' // species(i)%obj%name // ' (m/s)"' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m/s)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 @@ -56,7 +56,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$EndNodeData' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Pressure ' // species(i)%obj%name // ' (Pa)"' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 @@ -69,7 +69,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$EndNodeData' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Temperature ' // species(i)%obj%name // ' (K)"' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 diff --git a/src/modules/moduleCaseParam.f90 b/src/modules/moduleCaseParam.f90 index 5f1023a..c8df0e4 100644 --- a/src/modules/moduleCaseParam.f90 +++ b/src/modules/moduleCaseParam.f90 @@ -1,7 +1,7 @@ !Problems of the case MODULE moduleCaseParam - !Maximum number of iterations and number of species - INTEGER:: tmax + !Final and initial iterations + INTEGER:: tFinal, tInitial = 0 REAL(8), ALLOCATABLE:: tau(:) REAL(8):: tauMin diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 6841f4f..b63427c 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -22,7 +22,7 @@ MODULE moduleInput !Loads the config file CALL verboseError('Loading input file...') CALL config%load(filename = inputFile) - CALL checkStatus(config, "load") + CALL checkStatus(config, "loading") !Reads reference parameters CALL verboseError('Reading Reference parameters...') @@ -151,7 +151,8 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config LOGICAL:: found CHARACTER(:), ALLOCATABLE:: object - REAL(8):: time !simulation time in [t] + !simulation final and initial times in [t] + REAL(8):: finalTime, initialTime CHARACTER(:), ALLOCATABLE:: pusherType, EMType, WSType INTEGER:: nTau, nSolver INTEGER:: i @@ -176,11 +177,15 @@ MODULE moduleInput END IF tauMin = MINVAL(tau) - !Gets the simulation time - CALL config%get(object // '.time', time, found) - IF (.NOT. found) CALL criticalError('Required parameter time not found','readCase') + !Gets the simulation final time + CALL config%get(object // '.finalTime', finalTime, found) + IF (.NOT. found) CALL criticalError('Required parameter finalTime not found','readCase') !Convert simulation time to number of iterations - tmax = INT(time/tauMin) + tFinal = INT(finalTime / tauMin) + + !Gets the simulation initial time + CALL config%get(object // '.initialTime', initialTime, found) + IF (found) tInitial = INT(initialTime / tauMin) !Gest the pusher for each species CALL config%info(object // '.pusher', found, n_children = nSolver) @@ -215,7 +220,7 @@ MODULE moduleInput tauMin = tauMin / ti_ref !Sets the format of output files accordint to iteration number - iterationDigits = INT(LOG10(REAL(tmax))) + 1 + iterationDigits = INT(LOG10(REAL(tFinal))) + 1 WRITE(tString, '(I1)') iterationDigits iterationFormat = "(I" // tString // "." // tString // ")" @@ -327,10 +332,10 @@ MODULE moduleInput temperatureXi = temperatureXi / T_ref vTh = DSQRT(temperatureXi / species(sp)%obj%m) - partNew%v(1) = velocityXi(1) + vTh*randomMaxwellian() - partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() - partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() - partNew%vol = e + partNew%v(1) = velocityXi(1) + vTh*randomMaxwellian() + partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() + partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() + partNew%vol = e IF (ASSOCIATED(meshForMCC, mesh)) THEN partNew%volColl = partNew%vol @@ -338,8 +343,8 @@ MODULE moduleInput partNew%volColl = findCellBrute(meshColl, partNew%r) END IF - partNew%n_in = .TRUE. - partNew%weight = species(sp)%obj%weight + partNew%n_in = .TRUE. + partNew%weight = species(sp)%obj%weight !If charged species, add qm to particle SELECT TYPE(sp => species(sp)%obj) TYPE IS (speciesCharged) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 84fa4e2..0f78a5e 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -833,7 +833,7 @@ MODULE moduleSolver counterOutput = counterOutput + 1 IF (counterOutput >= triggerOutput .OR. & - t == tmax .OR. t == 0) THEN + t == tFinal .OR. t == tInitial) THEN !Resets output counter counterOutput=0 @@ -841,7 +841,7 @@ MODULE moduleSolver CALL mesh%printOutput(t) IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) CALL mesh%printEM(t) - WRITE(*, "(5X,A21,I10,A1,I10)") "t/tmax: ", t, "/", tmax + WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld IF (t == 0) THEN WRITE(*, "(5X,A21,F8.1,A2)") " init time: ", 1.D3*tStep, "ms" @@ -861,7 +861,7 @@ MODULE moduleSolver counterCPUTime = counterCPUTime + 1 IF (counterCPUTime >= triggerCPUTime .OR. & - t == tmax .OR. t == 0) THEN + t == tFinal .OR. t == tInitial) THEN !Reset CPU Time counter counterCPUTime = 0 From 027b346a842b22b18c2ff9e2fd34eb8925954860 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 21 Apr 2021 16:01:01 +0200 Subject: [PATCH 033/203] Copy input files to output folder After reading the input, the code copies the JSON input file but the mesh(es) to the output directory. --- src/modules/mesh/moduleMesh.f90 | 5 +++++ src/modules/moduleInput.f90 | 21 ++++++++++++++------- 2 files changed, 19 insertions(+), 7 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 1f6c795..1b1f70a 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -417,6 +417,11 @@ MODULE moduleMesh END INTERFACE + !Logical to indicate if an specific mesh for MC Collisions is used + LOGICAL:: doubleMesh + !Complete path for the two meshes + CHARACTER(:), ALLOCATABLE:: pathMeshColl, pathMeshParticle + CONTAINS !Constructs the global K matrix SUBROUTINE constructGlobalK(self) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index b63427c..b420861 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -11,6 +11,7 @@ MODULE moduleInput USE moduleBoundary USE moduleInject USE moduleOutput + USE moduleMesh IMPLICIT NONE CHARACTER(:), ALLOCATABLE, INTENT(in):: inputFile @@ -71,6 +72,14 @@ MODULE moduleInput !If everything is correct, creates the output folder CALL EXECUTE_COMMAND_LINE('mkdir ' // path // folder ) + !Copies input file to output folder + CALL EXECUTE_COMMAND_LINE('cp ' // inputFile // ' ' // path // folder) + !Copies particle mesh + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) + IF (doubleMesh) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + + END IF END SUBROUTINE readConfig @@ -780,9 +789,7 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config LOGICAL:: found - LOGICAL:: doubleMesh CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile - CHARACTER(:), ALLOCATABLE:: fullPath REAL(8):: volume !Firstly, indicates if a specific mesh for MC collisions is being use @@ -810,14 +817,14 @@ MODULE moduleInput !Reads the mesh file CALL config%get('geometry.meshFile', meshFile, found) - fullpath = path // meshFile - CALL mesh%readMesh(fullPath) - DEALLOCATE(fullPath, meshFile) + pathMeshParticle = path // meshFile + CALL mesh%readMesh(pathMeshParticle) + DEALLOCATE(meshFile) IF (doubleMesh) THEN !Reads the mesh file for collisions CALL config%get('interactions.meshCollisions', meshFile, found) - fullpath = path // meshFile - CALL meshColl%readMesh(fullPath) + pathMeshColl = path // meshFile + CALL meshColl%readMesh(pathMeshColl) END IF From 35bd61fda9088b235b6faaedcca61a3b34fbee05 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 21 Apr 2021 23:40:58 +0200 Subject: [PATCH 034/203] Common scatter subroutine All subroutines of scattering particle properties to the nodes of a volume have been converged into one in moduleMesh. --- src/modules/mesh/0D/moduleMesh0D.f90 | 25 ---- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 45 -------- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 45 -------- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 115 ------------------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 115 ------------------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 58 ---------- src/modules/mesh/moduleMesh.f90 | 36 +++++- src/modules/moduleInject.f90 | 2 +- src/modules/moduleInput.f90 | 6 +- 9 files changed, 39 insertions(+), 408 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index f51efd2..79939cd 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -18,7 +18,6 @@ MODULE moduleMesh0D PROCEDURE, PASS:: getNodes => getNodes0D PROCEDURE, PASS:: randPos => randPos0D PROCEDURE, NOPASS:: fPsi => fPsi0D - PROCEDURE, PASS:: scatter => scatter0D PROCEDURE, PASS:: gatherEF => gatherEF0D PROCEDURE, PASS:: elemK => elemK0D PROCEDURE, PASS:: elemF => elemF0D @@ -113,30 +112,6 @@ MODULE moduleMesh0D END FUNCTION fPsi0D - SUBROUTINE scatter0D(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol0D), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - tensorS = outerProduct(part%v, part%v) - - node => self%n1 - sp = part%species%n - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatter0D - PURE FUNCTION gatherEF0D(self, xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index e96150c..24b7287 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -75,9 +75,7 @@ MODULE moduleMesh1DCart PROCEDURE, PASS:: partialDer => partialDerSegm PROCEDURE, PASS:: elemK => elemKSegm PROCEDURE, PASS:: elemF => elemFSegm - PROCEDURE, NOPASS:: weight => weightSegm PROCEDURE, NOPASS:: inside => insideSegm - PROCEDURE, PASS:: scatter => scatterSegm PROCEDURE, PASS:: gatherEF => gatherEFSegm PROCEDURE, PASS:: getNodes => getNodesSegm PROCEDURE, PASS:: phy2log => phy2logSegm @@ -357,16 +355,6 @@ MODULE moduleMesh1DCart END FUNCTION elemFSegm - PURE FUNCTION weightSegm(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: w(1:2) - - w = fPsiSegm(xi) - - END FUNCTION weightSegm - PURE FUNCTION insideSegm(xi) RESULT(ins) IMPLICIT NONE @@ -378,39 +366,6 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm - SUBROUTINE scatterSegm(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol1DCartSegm), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:2) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterSegm - !Gathers EF at position Xii PURE FUNCTION gatherEFSegm(self, xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 99b3331..7567ab9 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -76,9 +76,7 @@ MODULE moduleMesh1DRad PROCEDURE, PASS:: partialDer => partialDerRad PROCEDURE, PASS:: elemK => elemKRad PROCEDURE, PASS:: elemF => elemFRad - PROCEDURE, NOPASS:: weight => weightRad PROCEDURE, NOPASS:: inside => insideRad - PROCEDURE, PASS:: scatter => scatterRad PROCEDURE, PASS:: gatherEF => gatherEFRad PROCEDURE, PASS:: getNodes => getNodesRad PROCEDURE, PASS:: phy2log => phy2logRad @@ -369,16 +367,6 @@ MODULE moduleMesh1DRad END FUNCTION elemFRad - PURE FUNCTION weightRad(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: w(1:2) - - w = fPsiRad(xi) - - END FUNCTION weightRad - PURE FUNCTION insideRad(xi) RESULT(ins) IMPLICIT NONE @@ -390,39 +378,6 @@ MODULE moduleMesh1DRad END FUNCTION insideRad - SUBROUTINE scatterRad(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol1DRadSegm), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:2) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterRad - !Gathers EF at position Xii PURE FUNCTION gatherEFRad(self, xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 36a182a..ff17688 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -83,9 +83,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad - PROCEDURE, NOPASS:: weight => weightQuad PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: scatter => scatterQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad @@ -114,9 +112,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria - PROCEDURE, NOPASS:: weight => weightTria PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: scatter => scatterTria PROCEDURE, PASS:: gatherEF => gatherEFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria @@ -470,17 +466,6 @@ MODULE moduleMesh2DCart END FUNCTION elemFQuad - !Computes weights in the element nodes - PURE FUNCTION weightQuad(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: w(1:4) - - w = fPsiQuad(xi) - - END FUNCTION weightQuad - !Checks if a particle is inside a quad element PURE FUNCTION insideQuad(xi) RESULT(ins) IMPLICIT NONE @@ -493,54 +478,6 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad - !Scatter properties of particle into element nodes - SUBROUTINE scatterQuad(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:4) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n3 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n4 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterQuad - !Gathers the electric field at position xi PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) IMPLICIT NONE @@ -841,17 +778,6 @@ MODULE moduleMesh2DCart END FUNCTION elemFTria - !Computes weights in the element nodes - PURE FUNCTION weightTria(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: w(:) - - w = fPsiTria(xi) - - END FUNCTION weightTria - PURE FUNCTION insideTria(xi) RESULT(ins) IMPLICIT NONE @@ -864,47 +790,6 @@ MODULE moduleMesh2DCart END FUNCTION insideTria - !Scatter properties of particles into element - SUBROUTINE scatterTria(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol2DCartTria), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:3) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n3 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterTria - !Gathers the electric field at position xi PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index d4e06bd..dcd285d 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -84,9 +84,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad - PROCEDURE, NOPASS:: weight => weightQuad PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: scatter => scatterQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad @@ -115,9 +113,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria - PROCEDURE, NOPASS:: weight => weightTria PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: scatter => scatterTria PROCEDURE, PASS:: gatherEF => gatherEFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria @@ -491,17 +487,6 @@ MODULE moduleMesh2DCyl END FUNCTION elemFQuad - !Computes weights in the element nodes - PURE FUNCTION weightQuad(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: w(1:4) - - w = fPsiQuad(xi) - - END FUNCTION weightQuad - !Checks if a particle is inside a quad element PURE FUNCTION insideQuad(xi) RESULT(ins) IMPLICIT NONE @@ -514,54 +499,6 @@ MODULE moduleMesh2DCyl END FUNCTION insideQuad - !Scatter properties of particle into element nodes - SUBROUTINE scatterQuad(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:4) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n3 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n4 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterQuad - !Gathers the electric field at position xi PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) IMPLICIT NONE @@ -871,17 +808,6 @@ MODULE moduleMesh2DCyl END FUNCTION elemFTria - !Computes weights in the element nodes - PURE FUNCTION weightTria(xi) RESULT(w) - IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: w(:) - - w = fPsiTria(xi) - - END FUNCTION weightTria - PURE FUNCTION insideTria(xi) RESULT(ins) IMPLICIT NONE @@ -894,47 +820,6 @@ MODULE moduleMesh2DCyl END FUNCTION insideTria - !Scatter properties of particles into element - SUBROUTINE scatterTria(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol2DCylTria), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:3) - REAL(8):: tensorS(1:3,1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n3 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterTria - !Gathers the electric field at position xi PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 8c6e350..15aed4d 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -76,9 +76,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: partialDer => partialDerTetra PROCEDURE, PASS:: elemK => elemKTetra PROCEDURE, PASS:: elemF => elemFTetra - PROCEDURE, NOPASS:: weight => weightTetra PROCEDURE, NOPASS:: inside => insideTetra - PROCEDURE, PASS:: scatter => scatterTetra PROCEDURE, PASS:: gatherEF => gatherEFTetra PROCEDURE, PASS:: getNodes => getNodesTetra PROCEDURE, PASS:: phy2log => phy2logTetra @@ -459,15 +457,6 @@ MODULE moduleMesh3DCart END FUNCTION elemFTetra - PURE FUNCTION weightTetra(xii) RESULT(w) - IMPLICIT NONE - REAL(8), INTENT(in):: xii(1:3) - REAL(8), ALLOCATABLE:: w(:) - - w = fPsiTetra(xii) - - END FUNCTION weightTetra - PURE FUNCTION insideTetra(xi) RESULT(ins) IMPLICIT NONE @@ -481,53 +470,6 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra - SUBROUTINE scatterTetra(self, part) - USE moduleMath - USE moduleSpecies - USE OMP_LIB - IMPLICIT NONE - - CLASS(meshVol3DCartTetra), INTENT(in):: self - CLASS(particle), INTENT(in):: part - REAL(8):: w_p(1:4) - REAL(8):: tensorS(1:3, 1:3) - CLASS(meshNode), POINTER:: node - INTEGER:: sp - - w_p = self%weight(part%xi) - tensorS = outerProduct(part%v, part%v) - - sp = part%species%n - node => self%n1 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(1) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(1)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(1)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n2 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(2) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(2)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(2)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n3 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(3) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(3)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(3)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - node => self%n4 - CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*w_p(4) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*w_p(4)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*w_p(4)*tensorS - CALL OMP_UNSET_LOCK(node%lock) - - END SUBROUTINE scatterTetra - PURE FUNCTION gatherEFTetra(self, xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 1b1f70a..030f725 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -164,7 +164,7 @@ MODULE moduleMesh PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi - PROCEDURE(scatter_interface), DEFERRED, PASS:: scatter + PROCEDURE, PASS:: scatter PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF @@ -468,6 +468,40 @@ MODULE moduleMesh END SUBROUTINE resetOutput + !Scatters particle properties into vol nodes + SUBROUTINE scatter(self, part) + USE moduleMath + USE moduleSpecies + USE OMP_LIB + IMPLICIT NONE + + CLASS(meshVol), INTENT(inout):: self + CLASS(particle), INTENT(in):: part + REAL(8), ALLOCATABLE:: fPsi(:) + INTEGER, ALLOCATABLE:: volNodes(:) + REAL(8):: tensorS(1:3, 1:3) + INTEGER:: sp + INTEGER:: i, nNodes + CLASS(meshNode), POINTER:: node + + fPsi = self%fPsi(part%xi) + tensorS = outerProduct(part%v, part%v) + sp = part%species%n + volNodes = self%getNodes() + nNodes = SIZE(volNodes) + + DO i = 1, nNodes + node => mesh%nodes(volNodes(i))%obj + CALL OMP_SET_LOCK(node%lock) + node%output(sp)%den = node%output(sp)%den + part%weight*fPsi(i) + node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*fPsi(i)*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*fPsi(i)*tensorS + CALL OMP_UNSET_LOCK(node%lock) + + END DO + + END SUBROUTINE scatter + !Find next cell for particle RECURSIVE SUBROUTINE findCell(self, part, oldCell) USE moduleSpecies diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 8c8f65d..9bfb35f 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -127,7 +127,7 @@ MODULE moduleInject et = et + 1 self%edges(et) = mesh%edges(e)%obj%n !Assign connectivity between injection edge and meshColl volume - IF (ASSOCIATED(meshForMCC, meshColl)) THEN + IF (doubleMesh) THEN nVolColl = findCellBrute(meshColl, mesh%edges(e)%obj%randPos()) IF (nVolColl > 0) THEN mesh%edges(e)%obj%eColl => meshColl%vols(nVolColl)%obj diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index b420861..34e7507 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -345,11 +345,11 @@ MODULE moduleInput partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() partNew%vol = e - IF (ASSOCIATED(meshForMCC, mesh)) THEN - partNew%volColl = partNew%vol + IF (doubleMesh) THEN + partNew%volColl = findCellBrute(meshColl, partNew%r) ELSE - partNew%volColl = findCellBrute(meshColl, partNew%r) + partNew%volColl = partNew%vol END IF partNew%n_in = .TRUE. From 9af3429395b9cb14c58408d2336f2802a06c8941 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 24 May 2021 12:37:16 +0200 Subject: [PATCH 035/203] Issue with random position in volumes Fixed an issue in which the position in triangular an thetrahedron elements were not correctly being computed. Other minor issues fixed: - Units in input file now do not use '/'. - Collisions accuratly conserve momentum. - Minor improvements in mass calculation in collisions. --- runs/0D_Argon/curve_Temperature.gp | 64 +++++++++++++++++++ src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 2 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 3 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 10 +-- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 4 +- src/modules/mesh/moduleMesh.f90 | 12 +--- src/modules/moduleCollisions.f90 | 35 +++++----- 7 files changed, 95 insertions(+), 35 deletions(-) create mode 100644 runs/0D_Argon/curve_Temperature.gp diff --git a/runs/0D_Argon/curve_Temperature.gp b/runs/0D_Argon/curve_Temperature.gp new file mode 100644 index 0000000..4f3eb76 --- /dev/null +++ b/runs/0D_Argon/curve_Temperature.gp @@ -0,0 +1,64 @@ +reset +set macros +term = 'postscript eps color enhanced' +font = 'font "CMUSerif-Roman,20"' +linew = 'lw 2.0' +times='"{/Symbol \264}"' +size_x=8.5 +size_y=5.2 + +tmar=0.998 +bmar=0.145 + +lmarLabel = 0.070 + +lmar=lmarLabel+0.085 +rmar=0.97 + +space_x=(rmar-lmar) + +xt_off_0=0.5 +yt_off_0=0.6 + +set xtics nomirror offset 0.0,xt_off_0 +set mxtics 2 + +set ytics nomirror offset yt_off_0,0.0 +set mytics 2 + +set pointsize 1.5 + +set style line 1 pt 4 lc rgb "#B50427" #Squares red +set style line 2 pt 6 lc rgb "#3B4CC1" #Circles blue +set style line 3 pt 1 lc rgb "#2CA02C" #Crosses green +set style line 4 pt 2 lc rgb "#FE7F0E" #Exes orange +set style line 5 pt 8 lc rgb "#D6696B" #Triangles light red +set style line 10 lt 1 lw 2.0 lc rgb "black" #Black solid line + +set terminal @term size size_x cm, size_y cm @linew @font + +set output "comp_temp.eps" + +#files +filename1 = "OUTPUT_Argon.dat" +filename2 = "OUTPUT_Argon+.dat" + +set lmargin at screen lmar +set rmargin at screen rmar + +set xrange [-0.01:1.01] +set xtics 0.2 +set xlabel "Time (s)" offset 0.0,1.2 + +set yrange [250:3550] +set format y "%3.0f" +set ytics 500 +set ylabel "Temperature (K)" offset 1.4,0.0 + +set key width 0.5 height 0.1 spacing 1.3 samplen 0.2 box opaque font ",16" +set key at graph 0.95, graph 0.9 right top + +plot filename1 u ($1):($7) t "Ar" ls 1 with lines, \ + filename2 u ($1):($7) t "Ar^{+}" ls 2 with lines, \ + '< paste OUTPUT_Argon.dat OUTPUT_Argon+.dat' u ($1):($7 + $14) t "Sum" ls 3 with lines + diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index ff17688..bc60a69 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -622,7 +622,7 @@ MODULE moduleMesh2DCart REAL(8), ALLOCATABLE:: fPsi(:) xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0) + xii(2) = random( 0.D0, 1.D0 - xii(1)) xii(3) = 0.D0 fPsi = self%fPsi(xii) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index dcd285d..62933d8 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -643,10 +643,9 @@ MODULE moduleMesh2DCyl REAL(8), ALLOCATABLE:: fPsi(:) xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0) + xii(2) = random( 0.D0, 1.D0 - xii(1)) xii(3) = 0.D0 - ALLOCATE(fPsi(1:3)) fPsi = self%fPsi(xii) r(1) = DOT_PRODUCT(fPsi, self%z) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 15aed4d..477373f 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -215,7 +215,9 @@ MODULE moduleMesh3DCart REAL(8):: xii(1:3) REAL(8):: fPsi(1:3) - xii = (/random(), random(), 0.D0 /) + xii(1) = random( 0.D0, 1.D0) + xii(2) = random( 0.D0, 1.D0 - xii(1)) + xii(3) = 0.D0 fPsi = self%fPsi(xii) r = (/DOT_PRODUCT(fPsi, self%x), & @@ -294,9 +296,9 @@ MODULE moduleMesh3DCart REAL(8):: xii(1:3) REAL(8), ALLOCATABLE:: fPsi(:) - xii(1) = random(0.D0, 1.D0) - xii(2) = random(0.D0, 1.D0) - xii(3) = random(0.D0, 1.D0) + xii(1) = random( 0.D0, 1.D0) + xii(2) = random( 0.D0, 1.D0 - xii(1)) + xii(3) = random( 0.D0, 1.D0 - xii(1) - xii(2)) ALLOCATE(fPsi(1:4)) fPsi = self%fPsi(xii) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 92d4a5b..4159873 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -43,7 +43,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$EndNodeData' WRITE(60, "(A)") '$NodeData' WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m/s)"' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' WRITE(60, *) 1 WRITE(60, *) time WRITE(60, *) 3 @@ -189,7 +189,7 @@ MODULE moduleMeshOutputGmsh2 WRITE(20, "(A)") '$ElementData' WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Electric Field (V/m)"' + WRITE(20, "(A)") '"Electric Field (V m^-1)"' WRITE(20, *) 1 WRITE(20, *) time WRITE(20, *) 3 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 030f725..86343f0 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -186,15 +186,6 @@ MODULE moduleMesh END SUBROUTINE initVol_interface - SUBROUTINE scatter_interface(self, part) - USE moduleSpecies - - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - CLASS(particle), INTENT(in):: part - - END SUBROUTINE scatter_interface - PURE FUNCTION gatherEF_interface(self, xi) RESULT(EF) IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self @@ -574,6 +565,7 @@ MODULE moduleMesh !TODO: try to combine this with the findCell for a regular mesh !Find the volume in which particle reside in the mesh for collisions + !No boundary interaction taken into account SUBROUTINE findCellCollMesh(part) USE moduleSpecies IMPLICIT NONE @@ -669,7 +661,7 @@ MODULE moduleMesh DO e=1, self%numVols vol => self%vols(e)%obj nPart = vol%listPart_in%amount - !Computes iterations if there is more than one particle in the cell + !Calculates number of collisions if there is more than one particle in the cell IF (nPart > 1) THEN !Probability of collision pMax = vol%totalWeight*vol%sigmaVrelMax*tauMin/vol%volume diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index a2c48ca..6557fa7 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -5,7 +5,7 @@ MODULE moduleCollisions !Abstract type for collision between two particles TYPE, ABSTRACT:: collisionBinary REAL(8):: rMass !Reduced mass - REAL(8):: sMass !Summed mass + REAL(8):: sMassInv !Summed mass TYPE(table1D):: crossSec !cross section of collision CONTAINS PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide @@ -169,8 +169,8 @@ MODULE moduleCollisions CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) !Calculates reduced mass - collision%sMass = mass_i+mass_j - collision%rMass = (mass_i*mass_j)/collision%sMass + collision%sMassInv = 1.D0/(mass_i+mass_j) + collision%rMass = (mass_i*mass_j)*collision%sMassInv END SUBROUTINE initBinaryElastic @@ -180,6 +180,7 @@ MODULE moduleCollisions USE moduleSpecies USE moduleConstParam USE moduleRandom + USE moduleMath IMPLICIT NONE CLASS(collisionBinaryElastic), INTENT(in):: self @@ -193,7 +194,7 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vCM REAL(8):: vp(1:3) - vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 + vRel = NORM2(part_i%v-part_j%v) eRel = self%rMass*vRel**2 sigmaVrel = self%crossSec%get(eRel)*vRel sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel @@ -205,8 +206,8 @@ MODULE moduleCollisions vp = vRel*randomDirectionVHS() !Assign velocities to particles - part_i%v = vCM + m_j*vp/self%sMass - part_j%v = vCM - m_i*vp/self%sMass + part_i%v = vCM + m_j*vp*self%sMassInv + part_j%v = vCM - m_i*vp*self%sMassInv END IF @@ -238,8 +239,8 @@ MODULE moduleCollisions CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) !Calculates reduced mass - collision%sMass = mass_i+mass_j - collision%rMass = (mass_i*mass_j)/collision%sMass + collision%sMassInv = 1.D0/(mass_i+mass_j) + collision%rMass = (mass_i*mass_j)*collision%sMassInv !Specific parameters for ionization collision SELECT TYPE(collision) @@ -269,6 +270,7 @@ MODULE moduleCollisions USE moduleErrors USE moduleList USE moduleRandom + USE moduleMath USE OMP_LIB IMPLICIT NONE @@ -283,7 +285,7 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vp_e, vp_n !eRel (in units of [m][L]^2[t]^-2 - vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 + vRel = NORM2(part_i%v-part_j%v) eRel = self%rMass*vRel**2 !Relative energy must be higher than threshold IF (eRel > self%eThreshold) THEN @@ -370,8 +372,8 @@ MODULE moduleCollisions CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) !Calculates reduced mass - collision%sMass = mass_i+mass_j - collision%rMass = (mass_i*mass_j)/collision%sMass + collision%sMassInv = 1.D0/(mass_i+mass_j) + collision%rMass = (mass_i*mass_j)*collision%sMassInv !Specific parameters for ionization collision SELECT TYPE(collision) @@ -401,7 +403,7 @@ MODULE moduleCollisions USE moduleErrors USE moduleList USE moduleRandom - USE OMP_LIB + USE moduleMath IMPLICIT NONE CLASS(collisionBinaryRecombination), INTENT(in):: self @@ -414,7 +416,7 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vp_i !eRel (in units of [m][L]^2[t]^-2 - vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 + vRel = NORM2(part_i%v-part_j%v) eRel = self%rMass*vRel**2 !Relative energy must be higher than threshold sigmaVrel = self%crossSec%get(eRel)*vRel @@ -476,8 +478,8 @@ MODULE moduleCollisions CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) !Calculates reduced mass - collision%sMass = mass_i+mass_j - collision%rMass = (mass_i*mass_j)/collision%sMass + collision%sMassInv = 1.D0/(mass_i+mass_j) + collision%rMass = (mass_i*mass_j)/collision%sMassInv END SUBROUTINE initBinaryChargeExchange @@ -485,6 +487,7 @@ MODULE moduleCollisions part_i, part_j) USE moduleSpecies USE moduleRandom + USE moduleMath IMPLICIT NONE CLASS(collisionBinaryChargeExchange), INTENT(in):: self @@ -496,7 +499,7 @@ MODULE moduleCollisions REAL(8):: eRel !relative energy !eRel (in units of [m][L]^2[t]^-2 - vRel = SUM(DABS(part_i%v-part_j%v)) !TODO make function of norm1 + vRel = NORM2(part_i%v-part_j%v) eRel = self%rMass*vRel**2 sigmaVrel = self%crossSec%get(eRel)*vRel sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel From b6a7eb9cedf84575cdc71b091ab84782ec1bb038 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 15 Jun 2021 10:40:13 +0200 Subject: [PATCH 036/203] Adding a time step for collisions A new option has been added in which MCC are computed with its own time step. 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zdHuJm0UA){afCtQ1Uwjy^S%UFfP=B84uFQj*&9QE_Kn022?zog`9ToCXp1Eb1O;?a zEE*IFtgNwV2sAdt2apl?&vNDW;u2V=0gF7Whk+#?PI-U>g&oHwC?sy$124v~&jYp~ z*s~-Cn1BIThIR2T`(tYipl+N40ZU_7N5CIA?^=MhJ_Jxaj|v!;n;5oYc+T)YaYF)zXR-crgnsp-6dn JWN*ol{y*(BDE0sV diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index 6477cff..479efb2 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -29,8 +29,7 @@ \makeglossaries %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - -\newacronym{fpakc}{fpakc}{Finite Element PArticle Code} +\newacronym{fpakc}{fpakc}{Finite element PArticle Code} \newacronym{mpi}{MPI}{Message Passing Interface} \newacronym{gpu}{GPU}{Graphics Processing Unit} \newacronym{cpu}{CPU}{Central Processing Unit} @@ -308,14 +307,13 @@ make \end{lstlisting} to compile the code. If everything is correct, an executable named \textit{fpakc} will be generated. - %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Running the code} To run a case, simply execute: \begin{lstlisting} ./fpakc path/to/input-file.json \end{lstlisting} - in a command line from the root \acrshort{fpakc} folder. + in a command line from the root \acrshort{fpakc} folder. Substitute \lstinline|path/to/input-file.json| with the path to the input file of the case you want to run. The examples in the run directory are presented in Chapter \ref{ch:exampleRuns}. @@ -659,6 +657,10 @@ make The file needs to be located in the folder \textbf{output.folder}. If this value is not present, the mesh defined in \textbf{geometry.meshFile} is used for \acrshort{mcc}. The format of this mesh needs to be the same as the one defined in \textbf{geometry.meshType}. + \item \textbf{timeStep}: Real. + Units of $\unit{s}$. + Time step to calculate MCC. + If no time is provided, the minimum time step is used. \item \textbf{collisions}: Object. Array. Contains the different short range interactions (\acrshort{mcc}). diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 308a0b5..8bd909b 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -70,7 +70,7 @@ PROGRAM fpakc tColl = omp_get_wtime() !$OMP END SINGLE - IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%doCollisions() + IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%doCollisions(t) !$OMP SINGLE tColl = omp_get_wtime() - tColl diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index db52de4..13e25ff 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -42,7 +42,7 @@ MODULE moduleMeshOutput0D USE moduleOutput IMPLICIT NONE - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t CHARACTER(:), ALLOCATABLE:: fileName @@ -56,7 +56,7 @@ MODULE moduleMeshOutput0D END IF OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, mesh%vols(1)%obj%nColl + WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, self%vols(1)%obj%nColl CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 4159873..66fe345 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -95,7 +95,7 @@ MODULE moduleMeshOutputGmsh2 USE moduleOutput IMPLICIT NONE - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t INTEGER:: numEdges INTEGER:: n diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 86343f0..77170da 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -310,7 +310,7 @@ MODULE moduleMesh SUBROUTINE printColl_interface(self, t) IMPORT meshGeneric - CLASS(meshGeneric), INTENT(in):: self + CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t END SUBROUTINE printColl_interface @@ -637,7 +637,7 @@ MODULE moduleMesh END FUNCTION findCellBrute !Computes collisions in element - SUBROUTINE doCollisions(self) + SUBROUTINE doCollisions(self, t) USE moduleCollisions USE moduleSpecies USE moduleList @@ -646,6 +646,7 @@ MODULE moduleMesh IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self + INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshVol), POINTER:: vol INTEGER:: nPart !Number of particles inside the cell @@ -657,49 +658,57 @@ MODULE moduleMesh REAL(8):: sigmaVrelMaxNew TYPE(pointerArray), ALLOCATABLE:: partTemp(:) - !$OMP DO SCHEDULE(DYNAMIC) - DO e=1, self%numVols - vol => self%vols(e)%obj - nPart = vol%listPart_in%amount - !Calculates number of collisions if there is more than one particle in the cell - IF (nPart > 1) THEN - !Probability of collision - pMax = vol%totalWeight*vol%sigmaVrelMax*tauMin/vol%volume + IF (MOD(t, everyColl) == 0) THEN + !Collisions need to be performed in this iteration + !$OMP DO SCHEDULE(DYNAMIC) + DO e=1, self%numVols + vol => self%vols(e)%obj + nPart = vol%listPart_in%amount - !Number of collisions in the cell - vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) + !Resets the number of collisions + vol%nColl = 0 - IF (vol%nColl > 0) THEN - !Converts the list of particles to an array for easy access - partTemp = vol%listPart_in%convert2Array() + !Calculates number of collisions if there is more than one particle in the cell + IF (nPart > 1) THEN + !Probability of collision + pMax = vol%totalWeight*vol%sigmaVrelMax*tauColl/vol%volume - END IF + !Number of collisions in the cell + vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) - DO n = 1, vol%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - - END DO - - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelMaxNew + IF (vol%nColl > 0) THEN + !Converts the list of particles to an array for easy access + partTemp = vol%listPart_in%convert2Array() END IF - END DO + DO n = 1, vol%nColl + !Select random numbers + rnd = random(1, nPart) + part_i => partTemp(rnd)%part + rnd = random(1, nPart) + part_j => partTemp(rnd)%part + ij = interactionIndex(part_i%species%n, part_j%species%n) + sigmaVrelMaxNew = 0.D0 + DO k = 1, interactionMatrix(ij)%amount + CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - END IF + END DO - END DO - !$OMP END DO + !Update maximum cross section*v_rel per each collision + IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelMaxNew + + END IF + + END DO + + END IF + + END DO + !$OMP END DO + + END IF END SUBROUTINE doCollisions diff --git a/src/modules/moduleCaseParam.f90 b/src/modules/moduleCaseParam.f90 index c8df0e4..8df3210 100644 --- a/src/modules/moduleCaseParam.f90 +++ b/src/modules/moduleCaseParam.f90 @@ -4,6 +4,7 @@ MODULE moduleCaseParam INTEGER:: tFinal, tInitial = 0 REAL(8), ALLOCATABLE:: tau(:) REAL(8):: tauMin + REAL(8):: tauColl END MODULE moduleCaseParam diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 6557fa7..2f22204 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -2,6 +2,9 @@ MODULE moduleCollisions USE moduleSpecies USE moduleTable + !Integer for when collisions are computed + INTEGER:: everyColl + !Abstract type for collision between two particles TYPE, ABSTRACT:: collisionBinary REAL(8):: rMass !Reduced mass diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 34e7507..19255dd 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -40,6 +40,11 @@ MODULE moduleInput CALL readSpecies(config) CALL checkStatus(config, "readSpecies") + !Reads case parameters + CALL verboseError('Reading Case parameters...') + CALL readCase(config) + CALL checkStatus(config, "readCase") + !Read interactions between species CALL verboseError('Reading interaction between species...') CALL readInteractions(config) @@ -55,10 +60,10 @@ MODULE moduleInput CALL readGeometry(config) CALL checkStatus(config, "readGeometry") - !Reads case parameters - CALL verboseError('Reading Case parameters...') - CALL readCase(config) - CALL checkStatus(config, "readCase") + !Read initial state for species + CALL verboseError('Reading Initial state...') + CALL readInitial(config) + CALL checkStatus(config, "readInitial") !Read injection of particles CALL verboseError('Reading injection of particles from boundaries...') @@ -233,11 +238,6 @@ MODULE moduleInput WRITE(tString, '(I1)') iterationDigits iterationFormat = "(I" // tString // "." // tString // ")" - !Read initial state for species - CALL verboseError('Reading Initial state...') - CALL readInitial(config) - CALL checkStatus(config, "readInitial") - END SUBROUTINE readCase !Reads the initial information for the species @@ -558,6 +558,8 @@ MODULE moduleInput USE moduleCollisions USE moduleErrors USE moduleMesh + USE moduleCaseParam + USE moduleRefParam USE OMP_LIB USE json_module IMPLICIT NONE @@ -595,6 +597,24 @@ MODULE moduleInput END IF + !Reads collision time step + CALL config%info('interactions.timeStep', found) + IF (found) THEN + CALL config%get('interactions.timeStep', tauColl, found) + tauColl = tauColl / ti_ref + + ELSE + tauColl = tauMin + + END IF + + IF (tauColl < tauMin) THEN + CALL criticalError('Collisional time step below minimum time step.', 'readInteractions') + + END IF + + everyColl = NINT(tauColl / tauMin) + !Inits the MCC matrix CALL initInteractionMatrix(interactionMatrix) From 56967dd6c7a8473437f0527f965c039e1b4f0f4a Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 29 Jun 2021 10:37:39 +0200 Subject: [PATCH 037/203] First implementation of probing method The code nows offer the possibility to obtain the distribution function for a specific species in a 3D velocity grid at a determined position. 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b/doc/user-manual/fpakc_UserManual.tex @@ -215,11 +215,12 @@ \item Recombination. When an electron and an ion interact, there is a possibility for them to be recombined into a neutral particle. - The photon emitted by this process is not modeled yet. + The photon emitted by this process is not modelled yet. \end{itemize} - \subsection{\acrlong{cs}} - Although not yet implement, a first approach will be soon implemented using Ref.~\cite{higginson2020corrected} as a guideline. +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% \subsection{\acrlong{cs}} +% Although not yet implement, a first approach will be soon implemented using Ref.~\cite{higginson2020corrected} as a guideline. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Reset of particle array} @@ -227,6 +228,20 @@ The new array containing only the particles inside the domain will be the one used in the next steps. In this section, particles are assigned to the list of particles inside each individual cell. Unfortunately, this is done right now without parallelisation and is very CPU consuming. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Probing}\label{sec:probing} + As default, \gls{fpakc} outputs information of macroscopic quantities (density, velocity, temperature\ldots) in the finite element mesh. + However, a lot of information can be extracted from the particle distribution function. + Thus, a probing method is provided to extract the distribution function in a specific position. + + The particles inside a cell in which the input position is located are distributed into a 3D velocity grid. + The user can decide the grid width and the number of points in each direction. + The distribution function will be calculated and wrote with a time step decided by the user. + + If a particle velocity resides outside of the velocity grid (in any direction), it wont be added to the tally of the distribution function. + Due to the limitation of only taking into account particles in the cell, and not neighbour particles, two probes for the same species at different positions but in the same cell will output the same results. + A more advance method taking into account distance between the particles and the probe position as well as particles in neighbour cells could be implemented to improve the statistics of the distribution function. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Scattering} @@ -359,6 +374,30 @@ make Trigger between writings is the same as in \textbf{triggerOutput}. \item \textbf{EMField}: Logical. Determines if the electromagnetic field is printed. + \item \textbf{probes}: Array of objects. + Defines the probes employed for obtaining the distribution function at specific positions. + See Sec.~\ref{sec:probing} for more information. + The object is structured as follows: + \begin{itemize} + \item \textbf{species}: Character. + Species name as defined in \textbf{species} array. + \item \textbf{position}: Real. + Array of dimension $3$. + Units in $\unit{m}$. + Indicates the position of the probing. + \item \textbf{timeStep}: Real + Units in $\unit{s}$. + Optional. + Time step for output of the distribution function. + If none is provided, the minimum time step of the case is used. + \item \textbf{velocity\_1, velocity\_2, velocity\_3}: Real. + Array of dimension $2$. + Velocity range (minimum-maximum) in which the distribution function will be interpolated. + The subscripts 1, 2, 3 indicate the three directions of the case. + \item \textbf{points}: Integer. + Array of dimension $3$. + Number of points in each direction. + \end{itemize} \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -439,72 +478,72 @@ make \begin{itemize} \item \textbf{name}: Character. Name of the boundary. - \item \textbf{type}: Character. - Type of boundary. - Accepted values are: - \begin{itemize} - \item \textbf{reflection}: Elastic reflection of particles. - \item \textbf{absorption}: Particle is eliminated from the domain. - The particle is first moved into the edge and its properties are scattered among the edge nodes. - \item \textbf{transparent}: Particle abandon the numerical domain. - \item \textbf{wallTemperature}: Reflective wall with cosntant temperature that exchange heat with particles. - Required parameters are: - \begin{itemize} - \item \textbf{temperature}: Real. - Units of $\unit{K}$. - Temperature wall. - \item \textbf{specificHeat}: Real. - Units of $\unit{J kg^{-1} K^{-1}}$. - Specific heat capacity of the material. - \end{itemize} - \item \textbf{ionization}: Per each particle crossing the surface with this type of boundary, a number of ionization events are calculated. - A pair of ion-electron is generated for each ionization event taking as a reference a neutral background. - Secondary electron is taken as same type as incident particle. - The available input is: - \begin{itemize} - \item \textbf{neutral}: Object. - Information about the neutral background. - Required parameters are: - \begin{itemize} - \item \textbf{ion}: Character. - Species name of the ion generated as defined in object \textbf{species}. - Required parameter. - \item \textbf{mass}: Real. - Units in $\unit{kg}$. - Mass of neutral species. - If missing, the mass of the ion is ussed - \item \textbf{density}: Real. - Units in $\unit{m^{-3}}$. - Density of neutral background. - Required parameter. - \item \textbf{velocity}: Real. - Units in $\unit{m^{-3}}$. - Array of dimension $3$. - Mean velocity of neutral background. - Required parameter. - \item \textbf{temperature}: Real. - Units in $\unit{K}$. - Temperature of neutral background. - Required parameter. - - \end{itemize} - \item \textbf{effectiveTime}: Real. - Units in $\unit{s}$. - As the particle is no longer simulated once it crossed the boundary, this time represent the effective time in which the particle produces ionization processes in the neutral background. - Required parameter. - \item \textbf{energyThreashold}: Real. - Units in $\unit{eV}$. - Ionization energy threshold for the simulated process. - Required parameter. - \item \textbf{crossSection}: Character. - Complete path to the cross section data for the ionization process. - - \end{itemize} - \item \textbf{axis}: Identifies the symmetry axis for 2D cylindrical simulations. - If for some reason a particle interact with this axis, it is reflected. - \end{itemize} \item \textbf{physicalSurface}: Integer. - Identification of the edge in the mesh file. + Identification of the surface in the mesh file. + \item \textbf{bType}: Array of objects of dimension 'number of species'. + Per each species defined in the case, a boundary \textbf{type} needs to be provided. + Accepted values for \textbf{type} are: + \begin{itemize} + \item \textbf{reflection}: Elastic reflection of particles. + \item \textbf{absorption}: Particle is eliminated from the domain. + The particle is first moved into the edge and its properties are scattered among the edge nodes. + \item \textbf{transparent}: Particle abandon the numerical domain. + \item \textbf{wallTemperature}: Reflective wall with cosntant temperature that exchange heat with particles. + Required parameters are: + \begin{itemize} + \item \textbf{temperature}: Real. + Units of $\unit{K}$. + Temperature wall. + \item \textbf{specificHeat}: Real. + Units of $\unit{J kg^{-1} K^{-1}}$. + Specific heat capacity of the material. + \end{itemize} + \item \textbf{ionization}: Per each particle crossing the surface with this type of boundary, a number of ionization events are calculated. + A pair of ion-electron is generated for each ionization event taking as a reference a neutral background. + Secondary electron is taken as same type as incident particle. + The available input is: + \begin{itemize} + \item \textbf{neutral}: Object. + Information about the neutral background. + Required parameters are: + \begin{itemize} + \item \textbf{ion}: Character. + Species name of the ion generated as defined in object \textbf{species}. + Required parameter. + \item \textbf{mass}: Real. + Units in $\unit{kg}$. + Mass of neutral species. + If missing, the mass of the ion is ussed + \item \textbf{density}: Real. + Units in $\unit{m^{-3}}$. + Density of neutral background. + Required parameter. + \item \textbf{velocity}: Real. + Units in $\unit{m^{-3}}$. + Array of dimension $3$. + Mean velocity of neutral background. + Required parameter. + \item \textbf{temperature}: Real. + Units in $\unit{K}$. + Temperature of neutral background. + Required parameter. + + \end{itemize} + \item \textbf{effectiveTime}: Real. + Units in $\unit{s}$. + As the particle is no longer simulated once it crossed the boundary, this time represent the effective time in which the particle produces ionization processes in the neutral background. + Required parameter. + \item \textbf{energyThreashold}: Real. + Units in $\unit{eV}$. + Ionization energy threshold for the simulated process. + Required parameter. + \item \textbf{crossSection}: Character. + Complete path to the cross section data for the ionization process. + + \end{itemize} + \item \textbf{axis}: Identifies the symmetry axis for 2D cylindrical simulations. + If for some reason a particle interact with this axis, it is reflected. + \end{itemize} \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -631,8 +670,7 @@ make \begin{itemize} \item \textbf{Electrostatic}: Solves the Poison equation to obtain the self-consistent electrostatic potential. \end{itemize} - \item \textbf{initial}: Object. - Array. + \item \textbf{initial}: Array of objects. Determines initial values for the species. Required values are: \begin{itemize} @@ -661,8 +699,7 @@ make Units of $\unit{s}$. Time step to calculate MCC. If no time is provided, the minimum time step is used. - \item \textbf{collisions}: Object. - Array. + \item \textbf{collisions}: Array of objects. Contains the different short range interactions (\acrshort{mcc}). Multiple collision types can be defined for each pair of species. Each object in the array is defined by: @@ -670,8 +707,7 @@ make \item \textbf{species\_i}, \textbf{species\_j}: Character. Define the two species involved in the collision processes. Order is indiferent. - \item \textbf{cTypes}: Object. - Array. + \item \textbf{cTypes}: Array of objects. Defines all the collisions between \textbf{species\_i} and \textbf{species\_j}. Required values are: \begin{itemize} @@ -705,29 +741,29 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \chapter{Example runs\label{ch:exampleRuns}} + \chapter{Example runs}\label{ch:exampleRuns} This chapter presents a description of the different example files distributed with \acrshort{fpakc}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} - Emission from a 1D cathond in both, cartesian and radial coordinates. + Emission from a 1D cathode in both, cartesian and radial coordinates. Both cases insert the same amount of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. - This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifiying some parameters in the input file. + This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifying some parameters in the input file. The same mesh file (\lstinline|mesh.msh|) is used for both cases. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{0D \ce{Ar}-\ce{Ar+} Elastic Collision (0D\_Argon)} Test case to check the 0D geometry that includes the elastic collision between \ce{Ar} and \ce{Ar+}. - Initial states are readed from the Argon\_Initial.dat and Argon+\_Initial.dat + Initial states are read from the Argon\_Initial.dat and Argon+\_Initial.dat %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{ALPHIE Grid system (ALPHIE\_Grid)} - Two-dimensional axialsymmetry case to study the counterflow of electrons and Argon ions going trhough the ALPHIE grid system. + Two-dimensional axial-symmetry case to study the counterflow of electrons and Argon ions going through the ALPHIE grid system. A \lstinline|mesh.geo| file is provided to easily modify the parameters of the grid system and generate a new mesh with \Gls{gmsh}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Flow around cylinder (cylFlow)} - Simple case of neutral Argon flow around a cylinder in a 2D axialsymmetry geometry. + Simple case of neutral Argon flow around a cylinder in a 2D axial-symmetry geometry. Elastic collisions between argon particles are included. Two cases are presented here: one in which the same mesh (meshSingle.msh) for scattering and collisions is used (input.json) and a second one (inputDualMesh.json) in which a mesh is used for scattering (mesh.msh) and a second one is used only for collisions (meshColl.msh). diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 8bd909b..8d33917 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -1,12 +1,13 @@ ! FPAKC main program PROGRAM fpakc + USE moduleCompTime + USE moduleCaseParam USE moduleInput - USE moduleErrors USE moduleInject USE moduleSolver USE moduleMesh - USE moduleCompTime - USE moduleCaseParam + USE moduleProbe + USE moduleErrors USE OMP_LIB IMPLICIT NONE @@ -84,6 +85,9 @@ PROGRAM fpakc !$OMP SINGLE tCoul = omp_get_wTime() - tCoul + !Do probing + CALL doProbes(t) + !Reset particles tReset = omp_get_wtime() !$OMP END SINGLE diff --git a/src/makefile b/src/makefile index 3a6d68a..9022723 100644 --- a/src/makefile +++ b/src/makefile @@ -4,6 +4,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ + $(OBJDIR)/moduleProbe.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ diff --git a/src/modules/makefile b/src/modules/makefile index cea6d73..7f54dae 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -2,7 +2,8 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ moduleOutput.o moduleInput.o moduleSolver.o \ moduleCollisions.o moduleTable.o moduleParallel.o \ - moduleEM.o moduleRandom.o moduleMath.o + moduleEM.o moduleRandom.o moduleMath.o \ + moduleProbe.o all: $(OBJS) mesh.o @@ -12,7 +13,7 @@ mesh.o: moduleCollisions.o moduleBoundary.o moduleMath.o moduleCollisions.o: moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInput.o: moduleParallel.o moduleRefParam.o moduleCaseParam.o moduleSolver.o moduleInject.o moduleBoundary.o moduleErrors.o moduleSpecies.o moduleInput.f90 +moduleInput.o: moduleParallel.o moduleRefParam.o moduleCaseParam.o moduleSolver.o moduleInject.o moduleBoundary.o moduleErrors.o moduleSpecies.o moduleProbe.o moduleInput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleInject.o: moduleRandom.o moduleSpecies.o moduleSolver.o moduleInject.f90 diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 19255dd..d97f92c 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -60,6 +60,11 @@ MODULE moduleInput CALL readGeometry(config) CALL checkStatus(config, "readGeometry") + !Read probes + CALL verboseError('Reading Probes...') + CALL readProbes(config) + CALL checkStatus(config, 'readProbes') + !Read initial state for species CALL verboseError('Reading Initial state...') CALL readInitial(config) @@ -903,6 +908,47 @@ MODULE moduleInput END SUBROUTINE readGeometry + SUBROUTINE readProbes(config) + USE moduleProbe + USE moduleErrors + USE json_module + IMPLICIT NONE + + TYPE(json_file), INTENT(inout):: config + CHARACTER(:), ALLOCATABLE:: object + LOGICAL:: found + CHARACTER(2):: istring + INTEGER:: i + CHARACTER(:), ALLOCATABLE:: speciesName + REAL(8), ALLOCATABLE, DIMENSION(:):: r + REAL(8), ALLOCATABLE, DIMENSION(:):: v1, v2, v3 + INTEGER, ALLOCATABLE, DIMENSION(:):: points + REAL(8):: timeStep + + CALL config%info('output.probes', found, n_children = nProbes) + + IF (found) ALLOCATE(probe(1:nProbes)) + + DO i = 1, nProbes + WRITE(iString, '(I2)') i + object = 'output.probes(' // trim(istring) // ')' + + CALL config%get(object // '.species', speciesName, found) + CALL config%get(object // '.position', r, found) + CALL config%get(object // '.velocity_1', v1, found) + CALL config%get(object // '.velocity_2', v2, found) + CALL config%get(object // '.velocity_3', v3, found) + CALL config%get(object // '.points', points, found) + CALL config%get(object // '.timeStep', timeStep, found) + + IF (ANY(points < 2)) CALL criticalError("Number of points in probe " // iString // " incorrect", 'readProbes') + + CALL probe(i)%init(i, speciesName, r, v1, v2, v3, points, timeStep) + + END DO + + END SUBROUTINE readProbes + SUBROUTINE readEMBoundary(config) USE moduleMesh USE moduleOutput @@ -926,7 +972,7 @@ MODULE moduleInput IF (found) ALLOCATE(boundEM(1:nBoundaryEM)) DO i = 1, nBoundaryEM - WRITE(istring, '(i2)') i + WRITE(istring, '(I2)') i object = 'boundaryEM(' // trim(istring) // ')' CALL config%get(object // '.type', boundEM(i)%typeEM, found) diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 new file mode 100644 index 0000000..26d62c8 --- /dev/null +++ b/src/modules/moduleProbe.f90 @@ -0,0 +1,239 @@ +MODULE moduleProbe + USE moduleMesh + USE moduleSpecies + + TYPE:: probeDistFunc + INTEGER:: id + REAL(8), DIMENSION(1:3):: r + CLASS(meshVol), POINTER:: cell + CLASS(speciesGeneric), POINTER:: species + REAL(8), ALLOCATABLE, DIMENSION(:):: vi, vj, vk + REAL(8), ALLOCATABLE, DIMENSION(:,:,:):: f + INTEGER, DIMENSION(1:3):: nv + REAL(8), DIMENSION(1:3):: vrange + REAL(8):: dvInv + INTEGER:: every + CONTAINS + PROCEDURE, PASS:: init + PROCEDURE, PASS:: findLowerIndex + PROCEDURE, PASS:: calculate + PROCEDURE, PASS:: output + + END TYPE probeDistFunc + + INTEGER:: nProbes = 0 + TYPE(probeDistFunc), ALLOCATABLE:: probe(:) + + CONTAINS + !Functions for probeDistFunc type + SUBROUTINE init(self, id, speciesName, r, v1, v2, v3, points, timeStep) + USE moduleCaseParam + USE moduleRefParam + USE moduleSpecies + USE moduleMesh + USE moduleErrors + IMPLICIT NONE + + CLASS(probeDistFunc), INTENT(out):: self + INTEGER, INTENT(in):: id + CHARACTER(:), ALLOCATABLE, INTENT(in):: speciesName + REAL(8), INTENT(in):: r(1:3) + REAL(8), INTENT(in):: v1(1:2), v2(1:2), v3(1:2) + INTEGER, INTENT(in):: points(1:3) + REAL(8), INTENT(in):: timeStep + INTEGER:: sp, e, i + REAL(8):: dv(1:3) + + !Assign id + self%id = id + + !Get species + sp = speciesName2Index(speciesName) + self%species => species(sp)%obj + + !Find cell + self%r = r/L_ref + e = findCellBrute(mesh, self%r) + IF (e == 0) CALL criticalError("No cell found for position in probe", 'init') + self%cell => mesh%vols(e)%obj + + !Allocates velocity grid + self%nv = points + ALLOCATE(self%vi(1:self%nv(1))) + ALLOCATE(self%vj(1:self%nv(2))) + ALLOCATE(self%vk(1:self%nv(3))) + + !Creates grid + dv(1) = (v1(2) - v1(1))/REAL(self%nv(1) - 1)/v_ref + dv(2) = (v2(2) - v2(1))/REAL(self%nv(2) - 1)/v_ref + dv(3) = (v3(2) - v3(1))/REAL(self%nv(3) - 1)/v_ref + + self%dvInv = 1.D0/(dv(1)*dv(2)*dv(3)) + + DO i = 1, self%nv(1) + self%vi(i) = dv(1)*REAL(i - 1) + v1(1)/v_ref + + END DO + + DO i = 1, self%nv(2) + self%vj(i) = dv(2)*REAL(i - 1) + v2(1)/v_ref + + END DO + + DO i = 1, self%nv(3) + self%vk(i) = dv(3)*REAL(i - 1) + v3(1)/v_ref + + END DO + + self%vrange(1) = self%vi(self%nv(1)) - self%vi(1) + self%vrange(2) = self%vj(self%nv(2)) - self%vj(1) + self%vrange(3) = self%vk(self%nv(3)) - self%vk(1) + + !Allocates distribution function + ALLOCATE(self%f(1:self%nv(1), & + 1:self%nv(2), & + 1:self%nv(3))) + + !Number of iterations between output + self%every = NINT(timeStep/ tauMin / ti_ref) + + END SUBROUTINE init + + SUBROUTINE findLowerIndex(self, vp, i, j, k, inside) + IMPLICIT NONE + + CLASS(probeDistFunc), INTENT(in):: self + REAL(8), INTENT(in):: vp(1:3) + INTEGER, INTENT(out):: i, j, k + LOGICAL, INTENT(out):: inside + + i = FLOOR((vp(1) - self%vi(1))/self%vrange(1)*(REAL(self%nv(1) - 1)) + 1.D0) + IF (i >= self%nv(1) .OR. i < 1) inside = .FALSE. + j = FLOOR((vp(2) - self%vj(1))/self%vrange(2)*(REAL(self%nv(2) - 1)) + 1.D0) + IF (j >= self%nv(2) .OR. j < 1) inside = .FALSE. + k = FLOOR((vp(3) - self%vk(1))/self%vrange(3)*(REAL(self%nv(3) - 1)) + 1.D0) + IF (k >= self%nv(3) .OR. k < 1) inside = .FALSE. + + END SUBROUTINE findLowerIndex + + SUBROUTINE calculate(self) + USE moduleSpecies + USE moduleList + IMPLICIT NONE + + CLASS(probeDistFunc), INTENT(inout):: self + TYPE(particle), POINTER:: part + TYPE(lNode), POINTER:: node + INTEGER:: i, j, k + LOGICAL:: inside + REAL(8):: fi, fi1 + REAL(8):: fj, fj1 + REAL(8):: fk, fk1 + + !Reset distribution function + self%f = 0.D0 + + !Loop over particles in cell + node => self%cell%listPart_in%head + DO WHILE(ASSOCIATED(node)) + + !Selects particle on list + part => node%part + + !If particle is of desired type, include in the distribution function + IF (part%species%n == self%species%n) THEN + !find lower index for all dimensions + CALL self%findLowerIndex(part%v, i, j, k, inside) + + !If particle is inside the velocity grid, add it to the distribution function + IF (inside) THEN + !Calculate weights + fi = self%vi(i+1) - part%v(1) + fi1 = part%v(1) - self%vi(i) + fj = self%vj(j+1) - part%v(2) + fj1 = part%v(2) - self%vj(j) + fk = self%vk(k+1) - part%v(3) + fk1 = part%v(3) - self%vk(k) + + !Assign particle weight to distribution function + self%f(i , j , k ) = fi * fj * fk * part%weight + self%f(i+1, j , k ) = fi1 * fj * fk * part%weight + self%f(i , j+1, k ) = fi * fj1 * fk * part%weight + self%f(i+1, j+1, k ) = fi1 * fj1 * fk * part%weight + self%f(i , j , k+1) = fi * fj * fk1 * part%weight + self%f(i+1, j , k+1) = fi1 * fj * fk1 * part%weight + self%f(i , j+1, k+1) = fi * fj1 * fk1 * part%weight + self%f(i+1, j+1, k+1) = fi1 * fj1 * fk1 * part%weight + + END IF + + END IF + + !Move to next particle in the list + node => node%next + + END DO + + !Divide by the velocity cube volume + self%f = self%f * self%dvInv + + END SUBROUTINE calculate + + SUBROUTINE output(self, t) + USE moduleOutput + USE moduleRefParam + IMPLICIT NONE + + CLASS(probeDistFunc), INTENT(in):: self + INTEGER, INTENT(in):: t + CHARACTER (LEN=iterationDigits):: tstring + CHARACTER (LEN=3):: pstring + CHARACTER(:), ALLOCATABLE:: filename + INTEGER:: i, j, k + + WRITE(tstring, iterationFormat) t + WRITE(pstring, "(I3.3)") self%id + fileName='OUTPUT_' // tstring// '_f_' // pstring // '.dat' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (10, file = path // folder // '/' // fileName) + WRITE(10, "(A1, 1X, A)") "# ", self%species%name + WRITE(10, "(A6, 3(ES15.6E3), A2)") "# r = ", self%r(:)*L_ref, " m" + WRITE(10, "(A6, ES15.6E3, A2)") "# t = ", REAL(t)*tauMin*ti_ref, " s" + WRITE(10, "(A1, A19, 3(A20))") "#", "v1 (m s^-1)", "v2 (m s^-1)", "v3 (m s^-1)", "f" + DO i = 1, self%nv(1) + DO j = 1, self%nv(2) + DO k = 1, self%nv(3) + WRITE(10, "(4(ES20.6E3))") self%vi(i)*v_ref, & + self%vj(j)*v_ref, & + self%vk(k)*v_ref, & + self%f(i, j, k) + + END DO + WRITE(10, *) + + END DO + + END DO + + CLOSE(10) + + END SUBROUTINE output + + SUBROUTINE doProbes(t) + IMPLICIT NONE + + INTEGER, INTENT(in):: t + INTEGER:: i + + DO i = 1, SIZE(probe) + IF (MOD(t, probe(i)%every) == 0 .OR. t == tFinal) THEN + CALL probe(i)%calculate() + CALL probe(i)%output(t) + + END IF + + END DO + + END SUBROUTINE doProbes + +END MODULE moduleProbe From aa9dda76cabc778fd22c26db02aa1a149ce06b00 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 26 Aug 2021 11:21:08 +0200 Subject: [PATCH 038/203] Small improvement. Small change to probing system. --- src/modules/moduleProbe.f90 | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index 26d62c8..6093ac6 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -63,10 +63,12 @@ MODULE moduleProbe ALLOCATE(self%vj(1:self%nv(2))) ALLOCATE(self%vk(1:self%nv(3))) + self%vrange(1) = (v1(2) - v1(1))/v_ref + self%vrange(2) = (v2(2) - v2(1))/v_ref + self%vrange(3) = (v3(2) - v3(1))/v_ref + !Creates grid - dv(1) = (v1(2) - v1(1))/REAL(self%nv(1) - 1)/v_ref - dv(2) = (v2(2) - v2(1))/REAL(self%nv(2) - 1)/v_ref - dv(3) = (v3(2) - v3(1))/REAL(self%nv(3) - 1)/v_ref + dv = self%vrange / REAL(self%nv - 1) self%dvInv = 1.D0/(dv(1)*dv(2)*dv(3)) @@ -85,10 +87,6 @@ MODULE moduleProbe END DO - self%vrange(1) = self%vi(self%nv(1)) - self%vi(1) - self%vrange(2) = self%vj(self%nv(2)) - self%vj(1) - self%vrange(3) = self%vk(self%nv(3)) - self%vk(1) - !Allocates distribution function ALLOCATE(self%f(1:self%nv(1), & 1:self%nv(2), & From f9dcd181c841772f4756bd36247e03c507a14a20 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 18 Oct 2021 10:29:45 +0200 Subject: [PATCH 039/203] Issue reading EM field Fixed an issue reading the EM field from input file. --- src/modules/moduleInput.f90 | 24 +++++++++++++----------- 1 file changed, 13 insertions(+), 11 deletions(-) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index d97f92c..56f5f79 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -172,7 +172,7 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: object !simulation final and initial times in [t] REAL(8):: finalTime, initialTime - CHARACTER(:), ALLOCATABLE:: pusherType, EMType, WSType + CHARACTER(:), ALLOCATABLE:: pusherType, WSType INTEGER:: nTau, nSolver INTEGER:: i CHARACTER(2):: iString @@ -221,15 +221,6 @@ MODULE moduleInput END DO - !Gets the solver for the electromagnetic field - CALL config%get(object // '.EMSolver', EMType, found) - CALL solver%initEM(EMType) - SELECT CASE(EMType) - CASE("Electrostatic") - CALL readEMBoundary(config) - - END SELECT - !Gest the non-analogue scheme CALL config%get(object // '.WeightingScheme', WSType, found) CALL solver%initWS(WSType) @@ -809,12 +800,13 @@ MODULE moduleInput USE moduleErrors USE moduleOutput USE moduleRefParam + USE moduleSolver USE json_module IMPLICIT NONE TYPE(json_file), INTENT(inout):: config LOGICAL:: found - CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile + CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile, EMType REAL(8):: volume !Firstly, indicates if a specific mesh for MC collisions is being use @@ -906,6 +898,16 @@ MODULE moduleInput END IF + !Gest EM solver + CALL config%get('case.EMSolver', EMType, found) + CALL solver%initEM(EMType) + SELECT CASE(EMType) + CASE("Electrostatic") + !Reads BC + CALL readEMBoundary(config) + + END SELECT + END SUBROUTINE readGeometry SUBROUTINE readProbes(config) From e683c66ff899da905e0e6d8b1664ecb0ea566d26 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 18 Oct 2021 16:00:28 +0200 Subject: [PATCH 040/203] Modification to Probes to use all particles Now, probes check all particles in the domain. This is done only when probes are outputed to save CPU time. However, still some issues and distribution functions are not properly being calculated. --- src/fpakc.f90 | 6 +- src/modules/makefile | 4 +- src/modules/moduleProbe.f90 | 128 +++++++++++++++++++++++------------ src/modules/moduleSolver.f90 | 77 +++++++++++---------- 4 files changed, 132 insertions(+), 83 deletions(-) diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 8d33917..03d0bbb 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -55,6 +55,9 @@ PROGRAM fpakc !Checks if a species needs to me moved in this iteration CALL solver%updatePushSpecies(t) + + !Checks if probes need to be calculated this iteration + CALL resetProbes(t) tPush = omp_get_wtime() !$OMP END SINGLE @@ -85,9 +88,6 @@ PROGRAM fpakc !$OMP SINGLE tCoul = omp_get_wTime() - tCoul - !Do probing - CALL doProbes(t) - !Reset particles tReset = omp_get_wtime() !$OMP END SINGLE diff --git a/src/modules/makefile b/src/modules/makefile index 7f54dae..4eda2be 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -22,7 +22,7 @@ moduleInject.o: moduleRandom.o moduleSpecies.o moduleSolver.o moduleInject.f90 moduleList.o: moduleSpecies.o moduleErrors.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleOutput.o: moduleMath.o moduleSpecies.o moduleRefParam.o moduleOutput.f90 +moduleOutput.o: moduleMath.o moduleSpecies.o moduleRefParam.o moduleProbe.o moduleOutput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleRandom.o: moduleConstParam.o moduleRandom.f90 @@ -34,7 +34,7 @@ moduleRefParam.o: moduleConstParam.o moduleRefParam.f90 moduleSpecies.o: moduleErrors.o moduleCaseParam.o moduleSpecies.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleSolver.o: mesh.o moduleList.o moduleEM.o moduleSpecies.o moduleRefParam.o moduleOutput.o moduleSolver.f90 +moduleSolver.o: mesh.o moduleList.o moduleEM.o moduleSpecies.o moduleRefParam.o moduleProbe.o moduleOutput.o moduleSolver.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleTable.o: moduleErrors.o moduleTable.f90 diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index 6093ac6..2d2295a 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -1,11 +1,9 @@ MODULE moduleProbe - USE moduleMesh USE moduleSpecies TYPE:: probeDistFunc INTEGER:: id REAL(8), DIMENSION(1:3):: r - CLASS(meshVol), POINTER:: cell CLASS(speciesGeneric), POINTER:: species REAL(8), ALLOCATABLE, DIMENSION(:):: vi, vj, vk REAL(8), ALLOCATABLE, DIMENSION(:,:,:):: f @@ -13,6 +11,9 @@ MODULE moduleProbe REAL(8), DIMENSION(1:3):: vrange REAL(8):: dvInv INTEGER:: every + LOGICAL:: update + INTEGER(KIND=OMP_LOCK_KIND):: lock + REAL(8):: maxR CONTAINS PROCEDURE, PASS:: init PROCEDURE, PASS:: findLowerIndex @@ -41,7 +42,7 @@ MODULE moduleProbe REAL(8), INTENT(in):: v1(1:2), v2(1:2), v3(1:2) INTEGER, INTENT(in):: points(1:3) REAL(8), INTENT(in):: timeStep - INTEGER:: sp, e, i + INTEGER:: sp, i REAL(8):: dv(1:3) !Assign id @@ -53,9 +54,6 @@ MODULE moduleProbe !Find cell self%r = r/L_ref - e = findCellBrute(mesh, self%r) - IF (e == 0) CALL criticalError("No cell found for position in probe", 'init') - self%cell => mesh%vols(e)%obj !Allocates velocity grid self%nv = points @@ -94,6 +92,13 @@ MODULE moduleProbe !Number of iterations between output self%every = NINT(timeStep/ tauMin / ti_ref) + + !Maximum radius + !TODO: Make this an input parameter + self%maxR = 1.D-1/L_ref + + !Init the probe lock + CALL OMP_INIT_LOCK(self%lock) END SUBROUTINE init @@ -114,32 +119,28 @@ MODULE moduleProbe END SUBROUTINE findLowerIndex - SUBROUTINE calculate(self) + SUBROUTINE calculate(self, part) USE moduleSpecies USE moduleList IMPLICIT NONE CLASS(probeDistFunc), INTENT(inout):: self - TYPE(particle), POINTER:: part - TYPE(lNode), POINTER:: node + TYPE(particle), INTENT(in):: part + REAL(8):: deltaR INTEGER:: i, j, k LOGICAL:: inside + REAL(8):: weight REAL(8):: fi, fi1 REAL(8):: fj, fj1 REAL(8):: fk, fk1 - !Reset distribution function - self%f = 0.D0 + !If particle is of desired type, include in the distribution function + IF (part%species%n == self%species%n) THEN + !Calculate distance between particle and probe + deltaR = NORM2(self%r - part%r) - !Loop over particles in cell - node => self%cell%listPart_in%head - DO WHILE(ASSOCIATED(node)) - - !Selects particle on list - part => node%part - - !If particle is of desired type, include in the distribution function - IF (part%species%n == self%species%n) THEN + !Only include particle if it is inside the maximum radius + IF (deltaR < self%maxR) THEN !find lower index for all dimensions CALL self%findLowerIndex(part%v, i, j, k, inside) @@ -153,28 +154,31 @@ MODULE moduleProbe fk = self%vk(k+1) - part%v(3) fk1 = part%v(3) - self%vk(k) + ! weight = part%weight * DEXP(deltaR/self%maxR) + weight = part%weight + + !Lock the probe + CALL OMP_SET_LOCK(self%lock) + !Assign particle weight to distribution function - self%f(i , j , k ) = fi * fj * fk * part%weight - self%f(i+1, j , k ) = fi1 * fj * fk * part%weight - self%f(i , j+1, k ) = fi * fj1 * fk * part%weight - self%f(i+1, j+1, k ) = fi1 * fj1 * fk * part%weight - self%f(i , j , k+1) = fi * fj * fk1 * part%weight - self%f(i+1, j , k+1) = fi1 * fj * fk1 * part%weight - self%f(i , j+1, k+1) = fi * fj1 * fk1 * part%weight - self%f(i+1, j+1, k+1) = fi1 * fj1 * fk1 * part%weight + self%f(i , j , k ) = fi * fj * fk * weight + self%f(i+1, j , k ) = fi1 * fj * fk * weight + self%f(i , j+1, k ) = fi * fj1 * fk * weight + self%f(i+1, j+1, k ) = fi1 * fj1 * fk * weight + self%f(i , j , k+1) = fi * fj * fk1 * weight + self%f(i+1, j , k+1) = fi1 * fj * fk1 * weight + self%f(i , j+1, k+1) = fi * fj1 * fk1 * weight + self%f(i+1, j+1, k+1) = fi1 * fj1 * fk1 * weight + + !Unlock the probe + CALL OMP_UNSET_LOCK(self%lock) END IF - + END IF - !Move to next particle in the list - node => node%next - - END DO - - !Divide by the velocity cube volume - self%f = self%f * self%dvInv - + END IF + END SUBROUTINE calculate SUBROUTINE output(self, t) @@ -182,13 +186,16 @@ MODULE moduleProbe USE moduleRefParam IMPLICIT NONE - CLASS(probeDistFunc), INTENT(in):: self + CLASS(probeDistFunc), INTENT(inout):: self INTEGER, INTENT(in):: t CHARACTER (LEN=iterationDigits):: tstring CHARACTER (LEN=3):: pstring CHARACTER(:), ALLOCATABLE:: filename INTEGER:: i, j, k + !Divide by the velocity cube volume + self%f = self%f * self%dvInv + WRITE(tstring, iterationFormat) t WRITE(pstring, "(I3.3)") self%id fileName='OUTPUT_' // tstring// '_f_' // pstring // '.dat' @@ -215,18 +222,21 @@ MODULE moduleProbe CLOSE(10) + !Reset distribution function + self%f = 0.D0 + END SUBROUTINE output - SUBROUTINE doProbes(t) + SUBROUTINE doProbes(part) IMPLICIT NONE - INTEGER, INTENT(in):: t + TYPE(particle), INTENT(in):: part INTEGER:: i - DO i = 1, SIZE(probe) - IF (MOD(t, probe(i)%every) == 0 .OR. t == tFinal) THEN - CALL probe(i)%calculate() - CALL probe(i)%output(t) + !Do it so they are only calculated when output + DO i = 1, nProbes + IF (probe(i)%update) THEN + CALL probe(i)%calculate(part) END IF @@ -234,4 +244,34 @@ MODULE moduleProbe END SUBROUTINE doProbes + SUBROUTINE outputProbes(t) + IMPLICIT NONE + + INTEGER, INTENT(in):: t + INTEGER:: i + + DO i = 1, nProbes + IF (probe(i)%update) THEN + CALL probe(i)%output(t) + + END IF + + END DO + + END SUBROUTINE outputProbes + + SUBROUTINE resetProbes(t) + IMPLICIT NONE + + INTEGER, INTENT(in):: t + INTEGER:: i + + DO i = 1, nProbes + probe(i)%f = 0.D0 + probe(i)%update = MOD(t, probe(i)%every) == 0 .OR. t == tFinal + + END DO + + END SUBROUTINE resetProbes + END MODULE moduleProbe diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 0f78a5e..47d33ca 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -497,17 +497,48 @@ MODULE moduleSolver END SUBROUTINE push0D + !Takes the particles from a list and put them into an array + !nStart indicates the last fill index in the array + SUBROUTINE resetList(partList, partArray, nStart) + USE moduleSpecies + USE moduleList + USE moduleProbe + IMPLICIT NONE + + TYPE(listNode), INTENT(inout):: partList + TYPE(particle), INTENT(inout), DIMENSION(1:):: partArray + INTEGER, INTENT(in):: nStart + TYPE(lNode), POINTER:: partCurr, partNext + INTEGER:: n + + partCurr => partList%head + DO n = 1, partList%amount + partNext => partCurr%next + partArray(nStart + n) = partCurr%part + CALL doProbes(partArray(nStart+n)) + DEALLOCATE(partCurr) + partCurr => partNext + + END DO + + !Resest head, tail and number of nodes in the list + IF (ASSOCIATED(partList%head)) NULLIFY(partList%head) + IF (ASSOCIATED(partList%tail)) NULLIFY(partList%tail) + partList%amount = 0 + + END SUBROUTINE resetList + SUBROUTINE doReset() USE moduleSpecies USE moduleMesh USE moduleList + USE moduleProbe IMPLICIT NONE INTEGER:: nn, n, e INTEGER, SAVE:: nPartNew INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions, nSurfaces TYPE(particle), ALLOCATABLE, SAVE:: partTemp(:) - TYPE(lNode), POINTER:: partCurr, partNext !$OMP SECTIONS !$OMP SECTION @@ -524,10 +555,13 @@ MODULE moduleSolver END IF !$OMP SECTION nWScheme = partWScheme%amount + !$OMP SECTION nCollisions = partCollisions%amount + !$OMP SECTION nSurfaces = partSurfaces%amount + !$OMP END SECTIONS !$OMP BARRIER @@ -546,6 +580,7 @@ MODULE moduleSolver IF (partInj(n)%n_in) THEN nn = nn + 1 partOld(nn) = partInj(n) + CALL doProbes(partOld(nn)) END IF @@ -558,54 +593,26 @@ MODULE moduleSolver IF (partTemp(n)%n_in) THEN nn = nn + 1 partOld(nn) = partTemp(n) + CALL doProbes(partOld(nn)) END IF END DO + !$OMP SECTION !Reset particles from weighting scheme nn = nInjIn + nOldIn - partCurr => partWScheme%head - DO n = 1, nWScheme - partNext => partCurr%next - partOld(nn+n) = partCurr%part - DEALLOCATE(partCurr) - partCurr => partNext - - END DO - IF (ASSOCIATED(partWScheme%head)) NULLIFY(partWScheme%head) - IF (ASSOCIATED(partWScheme%tail)) NULLIFY(partWScheme%tail) - partWScheme%amount = 0 + CALL resetList(partWScheme, partOld, nn) !$OMP SECTION !Reset particles from collisional process nn = nInjIn + nOldIn + nWScheme - partCurr => partCollisions%head - DO n = 1, nCollisions - partNext => partCurr%next - partOld(nn+n) = partCurr%part - DEALLOCATE(partCurr) - partCurr => partNext - - END DO - IF (ASSOCIATED(partCollisions%head)) NULLIFY(partCollisions%head) - IF (ASSOCIATED(partCollisions%tail)) NULLIFY(partCollisions%tail) - partCollisions%amount = 0 + CALL resetList(partCollisions, partOld, nn) !$OMP SECTION !Reset particles from surface process nn = nInjIn + nOldIn + nWScheme + nCollisions - partCurr => partSurfaces%head - DO n = 1, nSurfaces - partNext => partCurr%next - partOld(nn+n) = partCurr%part - DEALLOCATE(partCurr) - partCurr => partNext - - END DO - IF (ASSOCIATED(partSurfaces%head)) NULLIFY(partSurfaces%head) - IF (ASSOCIATED(partSurfaces%tail)) NULLIFY(partSurfaces%tail) - partSurfaces%amount = 0 + CALL resetList(partSurfaces, partOld, nn) !$OMP SECTION !Reset output in nodes @@ -827,6 +834,7 @@ MODULE moduleSolver USE moduleOutput USE moduleSpecies USE moduleCompTime + USE moduleProbe IMPLICIT NONE INTEGER, INTENT(in):: t @@ -838,6 +846,7 @@ MODULE moduleSolver !Resets output counter counterOutput=0 + CALL outputProbes(t) CALL mesh%printOutput(t) IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) CALL mesh%printEM(t) From 90e667f0a5f2e1701ac7cb78aa7a1ef0b2ef28b2 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 18 Oct 2021 16:36:19 +0200 Subject: [PATCH 041/203] Fixing issue with makefile The dependencies of the modules have been streamlined. --- src/modules/makefile | 29 ++++++++++------------------- 1 file changed, 10 insertions(+), 19 deletions(-) diff --git a/src/modules/makefile b/src/modules/makefile index 4eda2be..c83d436 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -5,42 +5,33 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ moduleEM.o moduleRandom.o moduleMath.o \ moduleProbe.o -all: $(OBJS) mesh.o +all: $(OBJS) -mesh.o: moduleCollisions.o moduleBoundary.o moduleMath.o +mesh.o: moduleCollisions.o moduleBoundary.o $(MAKE) -C mesh all -moduleCollisions.o: moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 +moduleCollisions.o: moduleList.o moduleMath.o moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInput.o: moduleParallel.o moduleRefParam.o moduleCaseParam.o moduleSolver.o moduleInject.o moduleBoundary.o moduleErrors.o moduleSpecies.o moduleProbe.o moduleInput.f90 +moduleInput.o: moduleParallel.o moduleSolver.o moduleInject.o moduleInput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInject.o: moduleRandom.o moduleSpecies.o moduleSolver.o moduleInject.f90 +moduleInject.o: moduleInject.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleList.o: moduleSpecies.o moduleErrors.o moduleList.f90 +moduleList.o: moduleConstParam.o moduleErrors.o moduleCaseParam.o moduleSpecies.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleOutput.o: moduleMath.o moduleSpecies.o moduleRefParam.o moduleProbe.o moduleOutput.f90 +moduleOutput.o: moduleMath.o moduleRefParam.o moduleOutput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleRandom.o: moduleConstParam.o moduleRandom.f90 +moduleSolver.o: moduleProbe.o moduleEM.o moduleSolver.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleRefParam.o: moduleConstParam.o moduleRefParam.f90 +moduleProbe.o: mesh.o moduleProbe.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleSpecies.o: moduleErrors.o moduleCaseParam.o moduleSpecies.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleSolver.o: mesh.o moduleList.o moduleEM.o moduleSpecies.o moduleRefParam.o moduleProbe.o moduleOutput.o moduleSolver.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleTable.o: moduleErrors.o moduleTable.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleEM.o: mesh.o moduleSpecies.o moduleEM.f90 +moduleBoundary.o: moduleTable.o moduleBoundary.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ %.o: %.f90 From 5b5dadce39f9bcd99d0e48c01b020a95711307be Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 8 Apr 2022 19:06:12 +0200 Subject: [PATCH 042/203] Restructuring the geometry and pushers The geometry and push structure has been reworked to allow eassy adding new pushers. Documentation not updated yet. Baseline for merging Cartesian pushers into one. --- makefile | 2 +- runs/0D_Argon/input.json | 14 +- runs/1D_Cathode/Argon+_Background.dat | 51 -- runs/1D_Cathode/Electron_Background.dat | 51 -- runs/1D_Cathode/inputCart.json | 15 +- runs/1D_Cathode/inputRadEmission.json | 15 +- runs/ALPHIE_Grid/inputBaseCase.json | 9 +- runs/ALPHIE_Grid/inputIonization_0.10mA.json | 9 +- runs/Argon_Expansion/CX_case.json | 9 +- runs/Argon_Expansion/elastic_case.json | 9 +- runs/Argon_Expansion/nocoll_case.json | 9 +- runs/cylFlow/input.json | 9 +- runs/cylFlow/inputDualMesh.json | 13 +- runs/cylFlow/mesh.msh.opt | 629 ------------------ .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 199 +++--- src/modules/mesh/moduleMesh.f90 | 2 + src/modules/moduleInput.f90 | 296 +++++---- src/modules/moduleSolver.f90 | 140 ++-- 18 files changed, 429 insertions(+), 1052 deletions(-) delete mode 100644 runs/1D_Cathode/Argon+_Background.dat delete mode 100644 runs/1D_Cathode/Electron_Background.dat delete mode 100644 runs/cylFlow/mesh.msh.opt diff --git a/makefile b/makefile index 6516128..565f3f8 100644 --- a/makefile +++ b/makefile @@ -6,7 +6,7 @@ SRCDIR := $(TOPDIR)/src# source folder # compiler # gfortran: FC := gfortran -JSONDIR := $(TOPDIR)/json-fortran-8.2.0/build-gfortran +JSONDIR := $(TOPDIR)/json-fortran/build-gfortran # ifort: # FC := ifort # JSONDIR := $(TOPDIR)/json-fortran-8.2.0/build-ifort diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json index 6940f77..6af25d0 100644 --- a/runs/0D_Argon/input.json +++ b/runs/0D_Argon/input.json @@ -1,7 +1,7 @@ { "output": { - "path": "./runs/0D_test/", + "path": "./runs/0D_Argon/", "triggerOutput": 1, "numColl": true, "folder": "test" @@ -13,21 +13,19 @@ "radius": 1.88e-10 }, "geometry": { - "type": "1DCart", - "meshType": "0D", + "dimension": 0, "volume": 1e-11 }, "species": [ {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e0}, {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} ], - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 1.0e-3, - "pusher": ["0D", "0D"], + "finalTime": 1.0e-3, "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Initial.dat"}, - {"speciesName": "Argon", "initialState": "Argon_Initial.dat"} + {"species": "Argon+", "file": "Argon+_Initial.dat"}, + {"species": "Argon", "file": "Argon_Initial.dat"} ] }, "interactions": { diff --git a/runs/1D_Cathode/Argon+_Background.dat b/runs/1D_Cathode/Argon+_Background.dat deleted file mode 100644 index b9128d9..0000000 --- a/runs/1D_Cathode/Argon+_Background.dat +++ /dev/null @@ -1,51 +0,0 @@ -#Element Density(m^-3) Velocity (m/2) Temperature (K) -1 1.8672E+15 -4.2433E+04 0.0000E+00 0.0000E+00 1.7536E+03 -2 1.7491E+15 -4.1621E+04 0.0000E+00 0.0000E+00 1.8298E+03 -3 1.7130E+15 -4.0665E+04 0.0000E+00 0.0000E+00 1.6838E+03 -4 1.7346E+15 -3.9729E+04 0.0000E+00 0.0000E+00 1.5787E+03 -5 1.7565E+15 -3.8817E+04 0.0000E+00 0.0000E+00 1.5641E+03 -6 1.7107E+15 -3.7924E+04 0.0000E+00 0.0000E+00 1.4574E+03 -7 1.6611E+15 -3.7036E+04 0.0000E+00 0.0000E+00 1.3561E+03 -8 1.6543E+15 -3.6166E+04 0.0000E+00 0.0000E+00 1.2648E+03 -9 1.6850E+15 -3.5302E+04 0.0000E+00 0.0000E+00 1.1812E+03 -10 1.7615E+15 -3.4449E+04 0.0000E+00 0.0000E+00 1.1669E+03 -11 1.7123E+15 -3.3627E+04 0.0000E+00 0.0000E+00 1.1458E+03 -12 1.6138E+15 -3.2791E+04 0.0000E+00 0.0000E+00 1.0411E+03 -13 1.6308E+15 -3.1965E+04 0.0000E+00 0.0000E+00 9.6919E+02 -14 1.6581E+15 -3.1161E+04 0.0000E+00 0.0000E+00 9.8432E+02 -15 1.6576E+15 -3.0359E+04 0.0000E+00 0.0000E+00 9.8741E+02 -16 1.6780E+15 -2.9560E+04 0.0000E+00 0.0000E+00 9.1285E+02 -17 1.6906E+15 -2.8768E+04 0.0000E+00 0.0000E+00 8.5525E+02 -18 1.6773E+15 -2.7987E+04 0.0000E+00 0.0000E+00 8.5787E+02 -19 1.6571E+15 -2.7208E+04 0.0000E+00 0.0000E+00 8.3556E+02 -20 1.6547E+15 -2.6431E+04 0.0000E+00 0.0000E+00 7.9246E+02 -21 1.6878E+15 -2.5659E+04 0.0000E+00 0.0000E+00 7.6169E+02 -22 1.7458E+15 -2.4887E+04 0.0000E+00 0.0000E+00 7.4698E+02 -23 1.7634E+15 -2.4124E+04 0.0000E+00 0.0000E+00 7.5560E+02 -24 1.8070E+15 -2.3350E+04 0.0000E+00 0.0000E+00 7.3385E+02 -25 1.8616E+15 -2.2579E+04 0.0000E+00 0.0000E+00 7.1475E+02 -26 1.8601E+15 -2.1822E+04 0.0000E+00 0.0000E+00 7.1208E+02 -27 1.8291E+15 -2.1053E+04 0.0000E+00 0.0000E+00 6.8693E+02 -28 1.8542E+15 -2.0280E+04 0.0000E+00 0.0000E+00 6.5924E+02 -29 1.9410E+15 -1.9518E+04 0.0000E+00 0.0000E+00 6.4794E+02 -30 1.9685E+15 -1.8749E+04 0.0000E+00 0.0000E+00 6.4988E+02 -31 2.0048E+15 -1.7973E+04 0.0000E+00 0.0000E+00 6.2752E+02 -32 2.1060E+15 -1.7194E+04 0.0000E+00 0.0000E+00 6.1567E+02 -33 2.1705E+15 -1.6418E+04 0.0000E+00 0.0000E+00 6.1351E+02 -34 2.1947E+15 -1.5629E+04 0.0000E+00 0.0000E+00 6.0244E+02 -35 2.2625E+15 -1.4824E+04 0.0000E+00 0.0000E+00 6.0286E+02 -36 2.4096E+15 -1.4023E+04 0.0000E+00 0.0000E+00 5.9199E+02 -37 2.5632E+15 -1.3209E+04 0.0000E+00 0.0000E+00 5.8388E+02 -38 2.6774E+15 -1.2384E+04 0.0000E+00 0.0000E+00 5.8875E+02 -39 2.8107E+15 -1.1544E+04 0.0000E+00 0.0000E+00 5.8973E+02 -40 2.9409E+15 -1.0692E+04 0.0000E+00 0.0000E+00 5.9631E+02 -41 3.1254E+15 -9.8219E+03 0.0000E+00 0.0000E+00 5.9943E+02 -42 3.4330E+15 -8.9344E+03 0.0000E+00 0.0000E+00 5.9491E+02 -43 3.7218E+15 -8.0260E+03 0.0000E+00 0.0000E+00 5.9949E+02 -44 4.0857E+15 -7.0817E+03 0.0000E+00 0.0000E+00 6.4591E+02 -45 4.5046E+15 -6.1015E+03 0.0000E+00 0.0000E+00 5.9669E+02 -46 5.4123E+15 -5.0997E+03 0.0000E+00 0.0000E+00 5.7835E+02 -47 6.7144E+15 -4.2183E+03 0.0000E+00 0.0000E+00 4.7454E+02 -48 9.1344E+15 -3.1141E+03 0.0000E+00 0.0000E+00 3.0000E+02 -49 1.4157E+16 -1.8530E+03 0.0000E+00 0.0000E+00 3.0000E+02 -50 2.3064E+16 -9.7547E+02 0.0000E+00 0.0000E+00 2.7186E+02 diff --git a/runs/1D_Cathode/Electron_Background.dat b/runs/1D_Cathode/Electron_Background.dat deleted file mode 100644 index 5243fab..0000000 --- a/runs/1D_Cathode/Electron_Background.dat +++ /dev/null @@ -1,51 +0,0 @@ -#Element Density(m^-3) Velocity (m/2) Temperature (K) -1 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -2 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -3 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -4 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -5 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -6 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -7 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -8 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -9 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -10 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -11 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -12 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -13 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -14 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -15 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -16 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -17 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -18 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -19 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -20 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -21 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -22 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -23 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -24 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -25 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -26 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -27 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -28 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -29 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -30 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -31 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -32 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -33 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -34 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -35 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -36 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -37 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -38 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -39 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -40 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -41 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -42 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -43 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -44 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 -45 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 -46 7.5916E+12 1.8413E+05 0.0000E+00 0.0000E+00 5.7527E+03 -47 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 -48 4.0201E+14 -2.3775E+04 0.0000E+00 0.0000E+00 1.1359E+04 -49 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 -50 6.9489E+15 -8.8002E+03 0.0000E+00 0.0000E+00 9.5125E+03 diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 74eb5f7..a2acdc3 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -14,7 +14,8 @@ "temperature": 11604.0 }, "geometry": { - "type": "1DCart", + "dimension": 1, + "type": "Cart", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -43,15 +44,11 @@ {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], - "case": { + "solver": { "tau": [1.0e-11, 1.0e-11], - "time": 4.0e-6, - "pusher": ["1DCartCharged", "1DCartCharged"], - "EMSolver": "Electrostatic", - "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, - {"speciesName": "Electron", "initialState": "Electron_Background.dat"} - ] + "finalTime": 4.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], + "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index 14fb767..6f0e892 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -14,7 +14,8 @@ "temperature": 11604.0 }, "geometry": { - "type": "1DRad", + "dimension": 1, + "type": "Cart", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -43,15 +44,11 @@ {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], - "case": { + "solver": { "tau": [1.0e-11, 1.0e-11], - "time": 3.0e-7, - "pusher": ["1DRadCharged", "1DRadCharged"], - "EMSolver": "Electrostatic", - "initial": [ - {"speciesName": "Argon+", "initialState": "Argon+_Background.dat"}, - {"speciesName": "Electron", "initialState": "Electron_Background.dat"} - ] + "finalTime": 3.0e-7, + "pusher": ["Electrostatic", "Electrostatic"], + "EMSolver": "Electrostatic" }, "parallel": { "OpenMP":{ diff --git a/runs/ALPHIE_Grid/inputBaseCase.json b/runs/ALPHIE_Grid/inputBaseCase.json index 7cb1ba0..db58686 100644 --- a/runs/ALPHIE_Grid/inputBaseCase.json +++ b/runs/ALPHIE_Grid/inputBaseCase.json @@ -8,7 +8,8 @@ "folder": "base_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -61,10 +62,10 @@ "temperature": 2500.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-9, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], + "finalTime": 1.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, diff --git a/runs/ALPHIE_Grid/inputIonization_0.10mA.json b/runs/ALPHIE_Grid/inputIonization_0.10mA.json index e7664bd..d328139 100644 --- a/runs/ALPHIE_Grid/inputIonization_0.10mA.json +++ b/runs/ALPHIE_Grid/inputIonization_0.10mA.json @@ -8,7 +8,8 @@ "folder": "ionization_0.10mA" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -58,10 +59,10 @@ "temperature": 2500.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-9, 1.0e-11], - "time": 1.0e-6, - "pusher": ["2DCylCharged", "2DCylCharged"], + "finalTime": 1.0e-6, + "pusher": ["Electrostatic", "Electrostatic"], "WeightingScheme": "Volume", "EMSolver": "Electrostatic" }, diff --git a/runs/Argon_Expansion/CX_case.json b/runs/Argon_Expansion/CX_case.json index d382a5d..8081b94 100644 --- a/runs/Argon_Expansion/CX_case.json +++ b/runs/Argon_Expansion/CX_case.json @@ -7,7 +7,8 @@ "folder": "CX_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/Argon_Expansion/elastic_case.json b/runs/Argon_Expansion/elastic_case.json index ac9fcc7..dab4720 100644 --- a/runs/Argon_Expansion/elastic_case.json +++ b/runs/Argon_Expansion/elastic_case.json @@ -7,7 +7,8 @@ "folder": "Elastic_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/Argon_Expansion/nocoll_case.json b/runs/Argon_Expansion/nocoll_case.json index 55dceb5..094fb80 100644 --- a/runs/Argon_Expansion/nocoll_case.json +++ b/runs/Argon_Expansion/nocoll_case.json @@ -7,7 +7,8 @@ "folder": "Nocoll_case" }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -41,10 +42,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [1.0e-6, 1.0e-6], - "time": 4.0e-3, - "pusher": ["2DCylNeutral", "2DCylNeutral"], + "finalTime": 4.0e-3, + "pusher": ["Neutral", "Neutral"], "WeightingScheme": "Volume" }, "parallel": { diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 88029a2..677206e 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -6,7 +6,8 @@ "numColl": true }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", "meshFile": "meshSingle.msh" }, @@ -40,10 +41,10 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [5.0e-7], - "time": 1.0e-3, - "pusher": ["2DCylNeutral"], + "finalTime": 1.0e-3, + "pusher": ["Neutral"], "WeightingScheme": "Volume" }, "interactions": { diff --git a/runs/cylFlow/inputDualMesh.json b/runs/cylFlow/inputDualMesh.json index 1f2d146..42d539c 100644 --- a/runs/cylFlow/inputDualMesh.json +++ b/runs/cylFlow/inputDualMesh.json @@ -6,9 +6,11 @@ "numColl": true }, "geometry": { - "type": "2DCyl", + "dimension": 2, + "type": "Cyl", "meshType": "gmsh2", - "meshFile": "mesh.msh" + "meshFile": "mesh.msh", + "meshCollisions": "meshColl.msh" }, "species": [ {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 5.0e8} @@ -40,15 +42,14 @@ "temperature": 300.0, "radius": 1.88e-10 }, - "case": { + "solver": { "tau": [5.0e-7], - "time": 1.0e-3, - "pusher": ["2DCylNeutral"], + "finalTime": 1.0e-3, + "pusher": ["Neutral"], "WeightingScheme": "Volume" }, "interactions": { "folderCollisions": "./data/collisions/", - "meshCollisions": "meshColl.msh", "collisions": [ {"species_i": "Argon", "species_j": "Argon", "cTypes": [ diff --git a/runs/cylFlow/mesh.msh.opt b/runs/cylFlow/mesh.msh.opt deleted file mode 100644 index b720b92..0000000 --- a/runs/cylFlow/mesh.msh.opt +++ /dev/null @@ -1,629 +0,0 @@ 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-Geometry.DoubleClickedVolumeCommand = ""; -Geometry.OCCTargetUnit = ""; -Geometry.AutoCoherence = 1; -Geometry.Clip = 0; -Geometry.CopyMeshingMethod = 0; -Geometry.DoubleClickedEntityTag = 0; -Geometry.ExactExtrusion = 1; -Geometry.ExtrudeReturnLateralEntities = 1; -Geometry.ExtrudeSplinePoints = 5; -Geometry.HighlightOrphans = 0; -Geometry.LabelType = 0; -Geometry.Light = 1; -Geometry.LightTwoSide = 1; -Geometry.Lines = 1; -Geometry.LineNumbers = 0; -Geometry.LineSelectWidth = 3; -Geometry.LineType = 0; -Geometry.LineWidth = 2; -Geometry.MatchGeomAndMesh = 0; -Geometry.MatchMeshScaleFactor = 1; -Geometry.MatchMeshTolerance = 1e-06; -Geometry.Normals = 0; -Geometry.NumSubEdges = 40; -Geometry.OCCAutoFix = 1; -Geometry.OCCBooleanPreserveNumbering = 1; -Geometry.OCCDisableSTL = 0; -Geometry.OCCFixDegenerated = 0; -Geometry.OCCFixSmallEdges = 0; -Geometry.OCCFixSmallFaces = 0; -Geometry.OCCImportLabels = 1; -Geometry.OCCParallel = 0; -Geometry.OCCScaling = 1; -Geometry.OCCSewFaces = 0; -Geometry.OffsetX = 0; -Geometry.OffsetY = 0; -Geometry.OffsetZ = 0; -Geometry.OldCircle = 0; -Geometry.OldRuledSurface = 0; -Geometry.OldNewReg = 1; -Geometry.Points = 1; -Geometry.PointNumbers = 0; -Geometry.PointSelectSize = 6; -Geometry.PointSize = 4; -Geometry.PointType = 0; -Geometry.ReparamOnFaceRobust = 0; -Geometry.ScalingFactor = 1; -Geometry.OrientedPhysicals = 1; -Geometry.SnapX = 0.1; -Geometry.SnapY = 0.1; -Geometry.SnapZ = 0.1; -Geometry.Surfaces = 0; -Geometry.SurfaceNumbers = 0; -Geometry.SurfaceType = 0; -Geometry.Tangents = 0; -Geometry.Tolerance = 1e-08; -Geometry.ToleranceBoolean = 0; -Geometry.Transform = 0; -Geometry.TransformXX = 1; -Geometry.TransformXY = 0; -Geometry.TransformXZ = 0; -Geometry.TransformYX = 0; -Geometry.TransformYY = 1; -Geometry.TransformYZ = 0; -Geometry.TransformZX = 0; -Geometry.TransformZY = 0; -Geometry.TransformZZ = 1; -Geometry.Volumes = 0; -Geometry.VolumeNumbers = 0; -Geometry.Color.Points = {90,90,90}; -Geometry.Color.Lines = {0,0,255}; -Geometry.Color.Surfaces = {128,128,128}; -Geometry.Color.Volumes = {255,255,0}; -Geometry.Color.Selection = {255,0,0}; -Geometry.Color.HighlightZero = {255,0,0}; -Geometry.Color.HighlightOne = {255,150,0}; -Geometry.Color.HighlightTwo = {255,255,0}; -Geometry.Color.Tangents = {255,255,0}; -Geometry.Color.Normals = {255,0,0}; -Geometry.Color.Projection = {0,255,0}; -Mesh.Algorithm = 2; -Mesh.Algorithm3D = 1; -Mesh.AngleSmoothNormals = 30; -Mesh.AngleToleranceFacetOverlap = 0.1; -Mesh.AnisoMax = 9.999999999999999e+32; -Mesh.AllowSwapAngle = 10; -Mesh.BdfFieldFormat = 1; -Mesh.Binary = 0; -Mesh.BoundaryLayerFanPoints = 5; -Mesh.CgnsImportOrder = 1; -Mesh.CgnsConstructTopology = 0; -Mesh.CharacteristicLengthExtendFromBoundary = 1; -Mesh.CharacteristicLengthFactor = 1; -Mesh.CharacteristicLengthMin = 0; -Mesh.CharacteristicLengthMax = 1e+22; -Mesh.CharacteristicLengthFromCurvature = 0; -Mesh.CharacteristicLengthFromPoints = 1; -Mesh.Clip = 0; -Mesh.ColorCarousel = 0; -Mesh.CompoundClassify = 1; -Mesh.CompoundCharacteristicLengthFactor = 0.5; -Mesh.CpuTime = 0; -Mesh.DrawSkinOnly = 0; -Mesh.Dual = 0; -Mesh.ElementOrder = 1; -Mesh.Explode = 1; -Mesh.FlexibleTransfinite = 0; -Mesh.NewtonConvergenceTestXYZ = 0; -Mesh.Format = 10; -Mesh.Hexahedra = 1; -Mesh.HighOrderIterMax = 100; -Mesh.HighOrderNumLayers = 6; -Mesh.HighOrderOptimize = 0; -Mesh.HighOrderPassMax = 25; -Mesh.HighOrderPeriodic = 0; -Mesh.HighOrderPoissonRatio = 0.33; -Mesh.HighOrderPrimSurfMesh = 0; -Mesh.HighOrderDistCAD = 0; -Mesh.HighOrderThresholdMin = 0.1; -Mesh.HighOrderThresholdMax = 2; -Mesh.LabelSampling = 1; -Mesh.LabelType = 0; -Mesh.LcIntegrationPrecision = 1e-09; -Mesh.Light = 1; -Mesh.LightLines = 2; -Mesh.LightTwoSide = 1; -Mesh.Lines = 1; -Mesh.LineNumbers = 0; -Mesh.LineWidth = 1; -Mesh.MaxNumThreads1D = 0; -Mesh.MaxNumThreads2D = 0; -Mesh.MaxNumThreads3D = 0; -Mesh.MeshOnlyVisible = 0; -Mesh.MetisAlgorithm = 1; -Mesh.MetisEdgeMatching = 2; -Mesh.MetisMaxLoadImbalance = -1; -Mesh.MetisObjective = 1; -Mesh.MetisMinConn = -1; -Mesh.MetisRefinementAlgorithm = 2; -Mesh.MinimumCirclePoints = 7; -Mesh.MinimumCurvePoints = 3; -Mesh.MshFileVersion = 4.1; -Mesh.MedFileMinorVersion = -1; -Mesh.MedImportGroupsOfNodes = 0; -Mesh.MedSingleModel = 0; -Mesh.PartitionHexWeight = -1; -Mesh.PartitionLineWeight = -1; -Mesh.PartitionPrismWeight = -1; -Mesh.PartitionPyramidWeight = -1; -Mesh.PartitionQuadWeight = -1; -Mesh.PartitionTrihedronWeight = 0; -Mesh.PartitionTetWeight = -1; -Mesh.PartitionTriWeight = -1; -Mesh.PartitionCreateTopology = 1; -Mesh.PartitionCreatePhysicals = 1; -Mesh.PartitionCreateGhostCells = 0; -Mesh.PartitionSplitMeshFiles = 0; -Mesh.PartitionTopologyFile = 0; -Mesh.PartitionOldStyleMsh2 = 1; -Mesh.NbHexahedra = 0; -Mesh.NbNodes = 27248; -Mesh.NbPartitions = 0; -Mesh.NbPrisms = 0; -Mesh.NbPyramids = 0; -Mesh.NbTrihedra = 0; -Mesh.NbQuadrangles = 26877; -Mesh.NbTetrahedra = 0; -Mesh.NbTriangles = 0; -Mesh.Normals = 0; -Mesh.NumSubEdges = 2; -Mesh.Optimize = 1; -Mesh.OptimizeThreshold = 0.3; -Mesh.OptimizeNetgen = 0; -Mesh.Points = 0; -Mesh.PointNumbers = 0; -Mesh.PointSize = 4; -Mesh.PointType = 0; -Mesh.Prisms = 1; -Mesh.Pyramids = 1; -Mesh.Trihedra = 1; -Mesh.Quadrangles = 1; -Mesh.QualityInf = 0; -Mesh.QualitySup = 0; -Mesh.QualityType = 2; -Mesh.RadiusInf = 0; -Mesh.RadiusSup = 0; -Mesh.RandomFactor = 1e-09; -Mesh.RandomFactor3D = 1e-12; -Mesh.RandomSeed = 1; -Mesh.PreserveNumberingMsh2 = 0; -Mesh.IgnorePeriodicity = 0; -Mesh.RecombinationAlgorithm = 1; -Mesh.RecombineAll = 0; -Mesh.RecombineOptimizeTopology = 5; -Mesh.Recombine3DAll = 0; -Mesh.Recombine3DLevel = 0; -Mesh.Recombine3DConformity = 0; -Mesh.RefineSteps = 10; -Mesh.Renumber = 1; -Mesh.SaveAll = 0; -Mesh.SaveElementTagType = 1; -Mesh.SaveTopology = 0; -Mesh.SaveParametric = 0; -Mesh.SaveGroupsOfNodes = 0; -Mesh.ScalingFactor = 1; -Mesh.SecondOrderExperimental = 0; -Mesh.SecondOrderIncomplete = 0; -Mesh.SecondOrderLinear = 0; -Mesh.Smoothing = 1; -Mesh.SmoothCrossField = 0; -Mesh.CrossFieldClosestPoint = 1; -Mesh.SmoothNormals = 0; -Mesh.SmoothRatio = 1.8; -Mesh.StlOneSolidPerSurface = 0; -Mesh.StlRemoveDuplicateTriangles = 0; -Mesh.SubdivisionAlgorithm = 0; -Mesh.SurfaceEdges = 0; -Mesh.SurfaceFaces = 0; -Mesh.SurfaceNumbers = 0; -Mesh.SwitchElementTags = 0; -Mesh.Tangents = 0; -Mesh.Tetrahedra = 1; -Mesh.ToleranceEdgeLength = 0; -Mesh.ToleranceInitialDelaunay = 1e-08; -Mesh.Triangles = 1; -Mesh.UnvStrictFormat = 1; -Mesh.VolumeEdges = 1; -Mesh.VolumeFaces = 0; -Mesh.VolumeNumbers = 0; -Mesh.Voronoi = 0; -Mesh.ZoneDefinition = 0; -Mesh.Color.Points = {0,0,255}; -Mesh.Color.PointsSup = {255,0,255}; -Mesh.Color.Lines = {0,0,0}; -Mesh.Color.Triangles = {160,150,255}; -Mesh.Color.Quadrangles = {130,120,225}; -Mesh.Color.Tetrahedra = {160,150,255}; -Mesh.Color.Hexahedra = {130,120,225}; -Mesh.Color.Prisms = {232,210,23}; -Mesh.Color.Pyramids = {217,113,38}; -Mesh.Color.Trihedra = {20,255,0}; -Mesh.Color.Tangents = {255,255,0}; -Mesh.Color.Normals = {255,0,0}; -Mesh.Color.Zero = {255,120,0}; -Mesh.Color.One = {0,255,132}; -Mesh.Color.Two = {255,160,0}; -Mesh.Color.Three = {0,255,192}; -Mesh.Color.Four = {255,200,0}; -Mesh.Color.Five = {0,216,255}; -Mesh.Color.Six = {255,240,0}; -Mesh.Color.Seven = {0,176,255}; -Mesh.Color.Eight = {228,255,0}; -Mesh.Color.Nine = {0,116,255}; -Mesh.Color.Ten = {188,255,0}; -Mesh.Color.Eleven = {0,76,255}; -Mesh.Color.Twelve = {148,255,0}; -Mesh.Color.Thirteen = {24,0,255}; -Mesh.Color.Fourteen = {108,255,0}; -Mesh.Color.Fifteen = {84,0,255}; -Mesh.Color.Sixteen = {68,255,0}; -Mesh.Color.Seventeen = {104,0,255}; -Mesh.Color.Eighteen = {0,255,52}; -Mesh.Color.Nineteen = {184,0,255}; -Solver.Executable0 = ""; -Solver.Executable1 = ""; -Solver.Executable2 = ""; -Solver.Executable3 = ""; -Solver.Executable4 = ""; -Solver.Executable5 = ""; -Solver.Executable6 = ""; -Solver.Executable7 = ""; -Solver.Executable8 = ""; -Solver.Executable9 = ""; -Solver.Name0 = "GetDP"; -Solver.Name1 = ""; -Solver.Name2 = ""; -Solver.Name3 = ""; -Solver.Name4 = ""; -Solver.Name5 = ""; -Solver.Name6 = ""; -Solver.Name7 = ""; -Solver.Name8 = ""; -Solver.Name9 = ""; -Solver.Extension0 = ".pro"; -Solver.Extension1 = ""; -Solver.Extension2 = ""; -Solver.Extension3 = ""; -Solver.Extension4 = ""; -Solver.Extension5 = ""; -Solver.Extension6 = ""; -Solver.Extension7 = ""; -Solver.Extension8 = ""; -Solver.Extension9 = ""; -Solver.OctaveInterpreter = "octave"; -Solver.PythonInterpreter = "python"; -Solver.RemoteLogin0 = ""; -Solver.RemoteLogin1 = ""; -Solver.RemoteLogin2 = ""; -Solver.RemoteLogin3 = ""; -Solver.RemoteLogin4 = ""; -Solver.RemoteLogin5 = ""; -Solver.RemoteLogin6 = ""; -Solver.RemoteLogin7 = ""; -Solver.RemoteLogin8 = ""; -Solver.RemoteLogin9 = ""; -Solver.SocketName = ".gmshsock"; -Solver.AlwaysListen = 0; -Solver.AutoArchiveOutputFiles = 0; -Solver.AutoCheck = 1; -Solver.AutoLoadDatabase = 0; -Solver.AutoSaveDatabase = 1; -Solver.AutoMesh = 2; -Solver.AutoMergeFile = 1; -Solver.AutoShowViews = 2; -Solver.AutoShowLastStep = 1; -Solver.Plugins = 0; -Solver.ShowInvisibleParameters = 0; -Solver.Timeout = 5; -PostProcessing.DoubleClickedGraphPointCommand = ""; -PostProcessing.GraphPointCommand = ""; -PostProcessing.AnimationDelay = 0.1; -PostProcessing.AnimationCycle = 0; -PostProcessing.AnimationStep = 1; -PostProcessing.CombineRemoveOriginal = 1; -PostProcessing.DoubleClickedGraphPointX = 0; -PostProcessing.DoubleClickedGraphPointY = 0; -PostProcessing.DoubleClickedView = 0; -PostProcessing.ForceElementData = 0; -PostProcessing.ForceNodeData = 0; -PostProcessing.Format = 10; -PostProcessing.GraphPointX = 0; -PostProcessing.GraphPointY = 0; -PostProcessing.HorizontalScales = 1; -PostProcessing.Link = 0; -PostProcessing.NbViews = 0; -PostProcessing.Plugins = 1; -PostProcessing.SaveInterpolationMatrices = 1; -PostProcessing.SaveMesh = 1; -PostProcessing.Smoothing = 0; -Print.ParameterCommand = "Mesh.Clip=1; View.Clip=1; General.ClipWholeElements=1; General.Clip0D=Print.Parameter; SetChanged;"; -Print.Parameter = 0; -Print.ParameterFirst = -1; -Print.ParameterLast = 1; -Print.ParameterSteps = 10; -Print.Background = 0; -Print.CompositeWindows = 0; -Print.PgfTwoDim = 1; -Print.PgfExportAxis = 0; -Print.PgfHorizontalBar = 0; -Print.DeleteTemporaryFiles = 1; -Print.EpsBestRoot = 1; -Print.EpsCompress = 0; -Print.EpsLineWidthFactor = 1; -Print.EpsOcclusionCulling = 1; -Print.EpsPointSizeFactor = 1; -Print.EpsPS3Shading = 0; -Print.EpsQuality = 1; -Print.Format = 10; -Print.GeoLabels = 1; -Print.GeoOnlyPhysicals = 0; -Print.GifDither = 0; -Print.GifInterlace = 0; -Print.GifSort = 1; -Print.GifTransparent = 0; -Print.Height = -1; -Print.JpegQuality = 100; -Print.JpegSmoothing = 0; -Print.PostElementary = 1; -Print.PostElement = 0; -Print.PostGamma = 0; -Print.PostEta = 0; -Print.PostSICN = 0; -Print.PostSIGE = 0; -Print.PostDisto = 0; -Print.TexAsEquation = 0; -Print.Text = 1; -Print.X3dCompatibility = 0; -Print.X3dPrecision = 1e-09; -Print.X3dRemoveInnerBorders = 0; -Print.X3dTransparency = 0; -Print.Width = -1; diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index d6fe4d7..0a3a557 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -67,24 +67,35 @@ MODULE moduleMeshInputGmsh2 !Read the nodes information DO e = 1, self%numNodes READ(10, *) n, r(1), r(2), r(3) - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) + self%connectMesh => connectMesh3DCart - CASE("2DCyl") - ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + self%connectMesh => connectMesh2DCyl + + CASE("Cart") + ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) + self%connectMesh => connectMesh2DCart + + END SELECT r(3) = 0.D0 - CASE("2DCart") - ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) - r(3) = 0.D0 + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) + self%connectMesh => connectMesh1DRad - CASE("1DRad") - ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) - r(2:3) = 0.D0 + CASE("Cart") + ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + self%connectMesh => connectMesh1DCart - CASE("1DCart") - ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + END SELECT r(2:3) = 0.D0 END SELECT @@ -92,7 +103,6 @@ MODULE moduleMeshInputGmsh2 END DO - !Skip comments READ(10, *) READ(10, *) @@ -106,16 +116,16 @@ MODULE moduleMeshInputGmsh2 self%numEdges = 0 DO e = 1, totalNumElem READ(10, *) eTemp, elemType - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) !Element type 2 is triangle in gmsh IF (elemType == 2) self%numEdges = e - CASE("2DCyl","2DCart") + CASE(2) !Element type 1 is segment in Gmsh IF (elemType == 1) self%numEdges = e - CASE("1DRad","1DCart") + CASE(1) !Element type 15 is physical point in Gmsh IF (elemType == 15) self%numEdges = e @@ -148,8 +158,8 @@ MODULE moduleMeshInputGmsh2 !Reads edges DO e=1, self%numEdges !Reads the edge according to the geometry - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) READ(10, *) n, elemType, eTemp, boundaryType BACKSPACE(10) @@ -167,41 +177,49 @@ MODULE moduleMeshInputGmsh2 END SELECT - CASE("2DCyl") - ALLOCATE(p(1:2)) + CASE (2) + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(p(1:2)) - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) - CASE("2DCart") - ALLOCATE(p(1:2)) + CASE("Cart") + ALLOCATE(p(1:2)) - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) - CASE("1DRad") - ALLOCATE(p(1:1)) + END SELECT - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(p(1:1)) - ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) - CASE("1DCart") - ALLOCATE(p(1:1)) + ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) + CASE("Cart") + ALLOCATE(p(1:1)) - ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) + + ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + + END SELECT END SELECT @@ -215,8 +233,8 @@ MODULE moduleMeshInputGmsh2 !Read and initialize volumes DO e = 1, self%numVols !Reads the volume according to the geometry - SELECT CASE(self%geometry) - CASE("3DCart") + SELECT CASE(self%dimen) + CASE(3) READ(10, *) n, elemType BACKSPACE(10) @@ -229,56 +247,64 @@ MODULE moduleMeshInputGmsh2 END SELECT - CASE("2DCyl") - READ(10,*) n, elemType - BACKSPACE(10) + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + READ(10,*) n, elemType + BACKSPACE(10) - SELECT CASE(elemType) - CASE (2) - !Triangular element - ALLOCATE(p(1:3)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) - CASE (3) - !Quadrilateral element - ALLOCATE(p(1:4)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + + END SELECT + + CASE("Cart") + READ(10,*) n, elemType + BACKSPACE(10) + + SELECT CASE(elemType) + CASE (2) + !Triangular element + ALLOCATE(p(1:3)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) + ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + + CASE (3) + !Quadrilateral element + ALLOCATE(p(1:4)) + READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) + ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + + END SELECT END SELECT - CASE("2DCart") - READ(10,*) n, elemType - BACKSPACE(10) + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(p(1:2)) - SELECT CASE(elemType) - CASE (2) - !Triangular element - ALLOCATE(p(1:3)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - CASE (3) - !Quadrilateral element - ALLOCATE(p(1:4)) - READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + CASE("Cart") + ALLOCATE(p(1:2)) + + READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) + ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) END SELECT - CASE("1DRad") - ALLOCATE(p(1:2)) - - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) - - CASE("1DCart") - ALLOCATE(p(1:2)) - - READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) - END SELECT CALL self%vols(e)%obj%init(n - numEdges, p, self%nodes) @@ -288,6 +314,9 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) + !Call mesh connectivity + CALL self%connectMesh + END SUBROUTINE readGmsh2 !Reads the initial information from an output file for an species diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 77170da..19283b5 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -262,6 +262,8 @@ MODULE moduleMesh !Generic mesh type TYPE, ABSTRACT:: meshGeneric + !Dimension of the mesh + INTEGER:: dimen !Geometry of the mesh CHARACTER(:), ALLOCATABLE:: geometry !Number of elements diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 56f5f79..d250954 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -40,16 +40,6 @@ MODULE moduleInput CALL readSpecies(config) CALL checkStatus(config, "readSpecies") - !Reads case parameters - CALL verboseError('Reading Case parameters...') - CALL readCase(config) - CALL checkStatus(config, "readCase") - - !Read interactions between species - CALL verboseError('Reading interaction between species...') - CALL readInteractions(config) - CALL checkStatus(config, "readInteractions") - !Read boundaries CALL verboseError('Reading boundary conditions...') CALL readBoundary(config) @@ -60,6 +50,16 @@ MODULE moduleInput CALL readGeometry(config) CALL checkStatus(config, "readGeometry") + !Read solver parameters + CALL verboseError('Reading Solver parameters...') + CALL readSolver(config) + CALL checkStatus(config, "readSolver") + + !Read interactions between species + CALL verboseError('Reading interaction between species...') + CALL readInteractions(config) + CALL checkStatus(config, "readInteractions") + !Read probes CALL verboseError('Reading Probes...') CALL readProbes(config) @@ -85,9 +85,12 @@ MODULE moduleInput !Copies input file to output folder CALL EXECUTE_COMMAND_LINE('cp ' // inputFile // ' ' // path // folder) !Copies particle mesh - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) - IF (doubleMesh) THEN - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + IF (mesh%dimen > 0) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) + IF (doubleMesh) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + + END IF END IF @@ -156,7 +159,7 @@ MODULE moduleInput END SUBROUTINE readReference !Reads the specific case parameters - SUBROUTINE readCase(config) + SUBROUTINE readSolver(config) USE moduleRefParam USE moduleErrors USE moduleCaseParam @@ -164,6 +167,7 @@ MODULE moduleInput USE moduleSpecies USE moduleCollisions USE moduleOutput + USE moduleMesh USE json_module IMPLICIT NONE @@ -172,47 +176,67 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: object !simulation final and initial times in [t] REAL(8):: finalTime, initialTime - CHARACTER(:), ALLOCATABLE:: pusherType, WSType + CHARACTER(:), ALLOCATABLE:: pusherType, WSType, EMType INTEGER:: nTau, nSolver INTEGER:: i CHARACTER(2):: iString CHARACTER(1):: tString - object = 'case' + object = 'solver' !Time parameters CALL config%info(object // '.tau', found, n_children = nTau) - IF (.NOT. found .OR. nTau == 0) CALL criticalError('Required parameter tau not found','readCase') + IF (.NOT. found .OR. nTau == 0) THEN + CALL criticalError('Required parameter tau not found','readSolver') + + END IF + ALLOCATE(tau(1:nSpecies)) + DO i = 1, nTau WRITE(iString, '(I2)') i CALL config%get(object // '.tau(' // TRIM(iString) // ')', tau(i), found) END DO + + tauMin = MINVAL(tau(1:nTau)) + IF (nTau < nSpecies) THEN CALL warningError('Using minimum time step for some species') - tau(nTau+1:nSpecies) = MINVAL(tau(1:nTau)) + tau(nTau+1:nSpecies) = tauMin END IF - tauMin = MINVAL(tau) !Gets the simulation final time CALL config%get(object // '.finalTime', finalTime, found) - IF (.NOT. found) CALL criticalError('Required parameter finalTime not found','readCase') + IF (.NOT. found) THEN + CALL criticalError('Required parameter finalTime not found','readSolver') + + END IF !Convert simulation time to number of iterations tFinal = INT(finalTime / tauMin) !Gets the simulation initial time CALL config%get(object // '.initialTime', initialTime, found) - IF (found) tInitial = INT(initialTime / tauMin) + IF (found) THEN + tInitial = INT(initialTime / tauMin) + + END IF !Gest the pusher for each species - CALL config%info(object // '.pusher', found, n_children = nSolver) - IF (.NOT. found .OR. nSolver /= nSpecies) CALL criticalError('Required parameter pusher not found','readCase') + IF (mesh%dimen > 0) THEN + CALL config%info(object // '.pusher', found, n_children = nSolver) + IF (.NOT. found .OR. nSolver /= nSpecies) THEN + CALL criticalError('Required parameter pusher not found','readSolver') + + END IF + + END IF + !Allocates all the pushers for particles ALLOCATE(solver%pusher(1:nSpecies)) !Initialize pushers - DO i = 1, nSolver + DO i = 1, nSpecies WRITE(iString, '(I2)') i CALL config%get(object // '.pusher(' // TRIM(iString) // ')', pusherType, found) @@ -220,23 +244,39 @@ MODULE moduleInput CALL solver%pusher(i)%init(pusherType, tauMin, tau(i)) END DO - - !Gest the non-analogue scheme + + !Get the non-analogue scheme CALL config%get(object // '.WeightingScheme', WSType, found) CALL solver%initWS(WSType) - !Makes tau(s) non-dimensional + !Make tau(s) non-dimensional tau = tau / ti_ref tauMin = tauMin / ti_ref - !Sets the format of output files accordint to iteration number + !Set the format of output files accordint to iteration number iterationDigits = INT(LOG10(REAL(tFinal))) + 1 WRITE(tString, '(I1)') iterationDigits iterationFormat = "(I" // tString // "." // tString // ")" - END SUBROUTINE readCase + !Get EM solver + CALL config%get(object // '.EMSolver', EMType, found) + IF (found) THEN + CALL solver%initEM(EMType) + SELECT CASE(EMType) + CASE("Electrostatic") + !Read BC + CALL readEMBoundary(config) - !Reads the initial information for the species + CASE DEFAULT + CALL criticalError('EM Solver ' // EMType // ' not found', 'readSolver') + + END SELECT + + END IF + + END SUBROUTINE readSolver + + !Read the initial information for the species SUBROUTINE readInitial(config) USE moduleSpecies USE moduleMesh @@ -270,13 +310,13 @@ MODULE moduleInput REAL(8):: vTh TYPE(lNode), POINTER:: partCurr, partNext - CALL config%info('case.initial', found, n_children = nInitial) + CALL config%info('solver.initial', found, n_children = nInitial) IF (found) THEN !Reads the information from initial species DO i = 1, nInitial WRITE(iString, '(I2)') i - object = 'case.initial(' // iString // ')' + object = 'solver.initial(' // iString // ')' CALL config%get(object // '.species', spName, found) sp = speciesName2Index(spName) CALL config%get(object // '.file', spFile, found) @@ -372,7 +412,7 @@ MODULE moduleInput END DO !Convert temporal list of particles into initial partOld array - !Deallocates the list of initial particles + !Deallocate the list of initial particles nNewPart = partInitial%amount IF (nNewPart > 0) THEN ALLOCATE(partOld(1:nNewPart)) @@ -504,13 +544,13 @@ MODULE moduleInput END DO - !Reads relations between species + !Read relations between species DO i = 1, nSpecies WRITE(iString, '(I2)') i object = 'species(' // TRIM(iString) // ')' SELECT TYPE(sp => species(i)%obj) TYPE IS (speciesNeutral) - !Gets species linked ion + !Get species linked ion CALL config%get(object // '.ion', linkName, found) IF (found) THEN linkID = speciesName2Index(linkName) @@ -519,7 +559,7 @@ MODULE moduleInput END IF TYPE IS (speciesCharged) - !Gets species linked neutral + !Get species linked neutral CALL config%get(object // '.neutral', linkName, found) IF (found) THEN linkID = speciesName2Index(linkName) @@ -580,19 +620,6 @@ MODULE moduleInput !Checks if MC collisions have been defined CALL config%info('interactions.collisions', found) IF (found) THEN - !Checks if a mesh for collisions has been defined - !The mesh will be initialized and reader in readGeometry - CALL config%info('interactions.meshCollisions', found) - IF (found) THEN - !Points meshForMCC to the specific mesh defined - meshForMCC => meshColl - - ELSE - !Points the meshForMCC pointer to the Particles Mesh - meshForMCC => mesh - - END IF - !Reads collision time step CALL config%info('interactions.timeStep', found) IF (found) THEN @@ -792,11 +819,6 @@ MODULE moduleInput USE moduleMesh USE moduleMeshInputGmsh2, ONLY: initGmsh2 USE moduleMeshInput0D, ONLY: init0D - USE moduleMesh3DCart, ONLY: connectMesh3DCart - USE moduleMesh2DCyl, ONLY: connectMesh2DCyl - USE moduleMesh2DCart, ONLY: connectMesh2DCart - USE moduleMesh1DRad, ONLY: connectMesh1DRad - USE moduleMesh1DCart, ONLY: connectMesh1DCart USE moduleErrors USE moduleOutput USE moduleRefParam @@ -805,86 +827,122 @@ MODULE moduleInput IMPLICIT NONE TYPE(json_file), INTENT(inout):: config + CHARACTER(:), ALLOCATABLE:: object LOGICAL:: found - CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile, EMType + CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile REAL(8):: volume - !Firstly, indicates if a specific mesh for MC collisions is being use - doubleMesh = ASSOCIATED(meshForMCC, meshColl) + object = 'geometry' - !Selects the type of geometry. - CALL config%get('geometry.type', mesh%geometry, found) - IF (doubleMesh) meshColl%geometry = mesh%geometry + !Checks if a mesh for collisions has been defined + !The mesh will be initialized and reader in readGeometry + CALL config%info(object // '.meshCollisions', found) + IF (found) THEN + !Points meshForMCC to the specific mesh defined + meshForMCC => meshColl + doubleMesh = .TRUE. - !Gets the type of mesh - CALL config%get('geometry.meshType', meshFormat, found) - SELECT CASE(meshFormat) - CASE ("gmsh2") - CALL initGmsh2(mesh) - IF (doubleMesh) CALL initGmsh2(meshColl) + ELSE + CALL config%info('interactions', found) + IF (found) THEN + !Points the meshForMCC pointer to the Particles Mesh + meshForMCC => mesh - CASE ("0D") - CALL config%get('geometry.meshType', meshFormat, found) - CALL init0D(mesh) - - CASE DEFAULT - CALL criticalError("Mesh format " // meshFormat // " not recogniced", "readGeometry") - - END SELECT - - !Reads the mesh file - CALL config%get('geometry.meshFile', meshFile, found) - pathMeshParticle = path // meshFile - CALL mesh%readMesh(pathMeshParticle) - DEALLOCATE(meshFile) - IF (doubleMesh) THEN - !Reads the mesh file for collisions - CALL config%get('interactions.meshCollisions', meshFile, found) - pathMeshColl = path // meshFile - CALL meshColl%readMesh(pathMeshColl) + END IF + doubleMesh = .FALSE. END IF - !Gets the volume for a 0D mesh - !TODO: Try to constrain this to the inout for 0D - IF (meshFormat == "0D") THEN - CALL config%get('geometry.volume', volume, found) + !Get the dimension of the geometry + CALL config%get(object // '.dimension', mesh%dimen, found) + IF (.NOT. found) THEN + CALL criticalError('Required parameter geometry.dimension not found', 'readGeometry') + + END IF + IF (doubleMesh) THEN + meshColl%dimen = mesh%dimen + + END IF + + + SELECT CASE(mesh%dimen) + CASE (0) + CALL config%get(object // '.meshType', meshFormat, found) + CALL init0D(mesh) + + !Read the 0D mesh + CALL mesh%readMesh(pathMeshParticle) + + !Get the volumne + CALL config%get(object // '.volume', volume, found) + !Rescale the volumne IF (found) THEN mesh%vols(1)%obj%volume = mesh%vols(1)%obj%volume*volume / Vol_ref mesh%nodes(1)%obj%v = mesh%vols(1)%obj%volume END IF - END IF + CASE (1:3) + !Select the type of geometry + CALL config%get(object // '.type', mesh%geometry, found) + IF (doubleMesh) THEN + meshColl%geometry = mesh%geometry - !Creates the connectivity between elements - SELECT CASE(mesh%geometry) - CASE("3DCart") - mesh%connectMesh => connectMesh3DCart + END IF + + !Check the consistency between geometry and dimension + SELECT CASE(mesh%dimen) + CASE(3) + IF (mesh%geometry /= 'Cart') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 3D', 'readGeometry') - CASE("2DCyl") - mesh%connectMesh => connectMesh2DCyl + END IF - CASE("2DCart") - mesh%connectMesh => connectMesh2DCart + CASE(2) + IF (mesh%geometry /= 'Cart' .AND. & + mesh%geometry /= 'Cyl') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 2D', 'readGeometry') - CASE("1DRad") - mesh%connectMesh => connectMesh1DRad + END IF - CASE("1DCart") - mesh%connectMesh => connectMesh1DCart + CASE(1) + IF (mesh%geometry /= 'Cart' .AND. & + mesh%geometry /= 'Rad') THEN + CALL criticalError('No available geometry ' // mesh%geometry // ' in 1D', 'readGeometry') - CASE("0D") - mesh%connectMesh => NULL() + END IF + + END SELECT + + !Get the type of mesh + CALL config%get(object // '.meshType', meshFormat, found) + SELECT CASE(meshFormat) + CASE ("gmsh2") + CALL initGmsh2(mesh) + IF (doubleMesh) THEN + CALL initGmsh2(meshColl) + + END IF + + END SELECT + + !Reads the mesh file + CALL config%get(object // '.meshFile', meshFile, found) + pathMeshParticle = path // meshFile + CALL mesh%readMesh(pathMeshParticle) + DEALLOCATE(meshFile) + IF (doubleMesh) THEN + !Reads the mesh file for collisions + CALL config%get(object // '.meshCollisions', meshFile, found) + pathMeshColl = path // meshFile + CALL meshColl%readMesh(pathMeshColl) + + END IF + + CASE DEFAULT + CALL criticalError("Mesh dimension not recogniced", "readGeometry") END SELECT - IF (ASSOCIATED(mesh%connectMesh)) CALL mesh%connectMesh - - IF (doubleMesh) THEN - meshColl%connectMesh => mesh%connectMesh - CALL meshColl%connectMesh - - END IF !Builds the K matrix for the Particles mesh CALL mesh%constructGlobalK() @@ -898,16 +956,6 @@ MODULE moduleInput END IF - !Gest EM solver - CALL config%get('case.EMSolver', EMType, found) - CALL solver%initEM(EMType) - SELECT CASE(EMType) - CASE("Electrostatic") - !Reads BC - CALL readEMBoundary(config) - - END SELECT - END SUBROUTINE readGeometry SUBROUTINE readProbes(config) @@ -1010,7 +1058,6 @@ MODULE moduleInput END DO - !TODO: Improve this IF (ALLOCATED(boundEM)) THEN DO e = 1, mesh%numEdges IF (ANY(mesh%edges(e)%obj%physicalSurface == boundEM(:)%physicalSurface)) THEN @@ -1026,7 +1073,10 @@ MODULE moduleInput !Compute the PLU factorization of K once boundary conditions have been read CALL dgetrf(mesh%numNodes, mesh%numNodes, mesh%K, mesh%numNodes, mesh%IPIV, info) - IF (info /= 0) CALL criticalError('Factorization of K matrix failed', 'readEMBoundary') + IF (info /= 0) THEN + CALL criticalError('Factorization of K matrix failed', 'readEMBoundary') + + END IF END SUBROUTINE readEMBoundary diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 47d33ca..ba39d4d 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -60,53 +60,90 @@ MODULE moduleSolver !Init Pusher SUBROUTINE initPusher(self, pusherType, tau, tauSp) USE moduleErrors + USE moduleMesh, ONLY: mesh IMPLICIT NONE CLASS(pusherGeneric), INTENT(out):: self CHARACTER(:), ALLOCATABLE:: pusherType REAL(8):: tau, tauSp - SELECT CASE(pusherType) - !3D Cartesian - CASE('3DCartNeutral') - self%pushParticle => push3DCartNeutral - - CASE('3DCartCharged') - self%pushParticle => push3DCartCharged - - !2D Cylindrical - CASE('2DCylNeutral') - self%pushParticle => push2DCylNeutral - - CASE('2DCylCharged') - self%pushParticle => push2DCylCharged - - !2D Cartesian - CASE('2DCartNeutral') - self%pushParticle => push2DCartNeutral - - CASE('2DCartCharged') - self%pushParticle => push2DCartCharged - - !1D Cartesian - CASE('1DCartNeutral') - self%pushParticle => push1DCartNeutral - - CASE('1DCartCharged') - self%pushParticle => push1DCartCharged - - !1D Radial - CASE('1DRadNeutral') - self%pushParticle => push1DRadNeutral - - CASE('1DRadCharged') - self%pushParticle => push1DRadCharged - - CASE('0D') + !TODO: Reorganize if Cart pushers are combined + SELECT CASE(mesh%dimen) + CASE(0) self%pushParticle => push0D - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found','initPusher') + CASE(3) + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push3DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push3DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 3D','initPusher') + + END SELECT + + CASE(2) + SELECT CASE(mesh%geometry) + CASE('Cyl') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCylCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cyl','initPusher') + + END SELECT + + CASE ('Cart') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cart','initPusher') + + END SELECT + + END SELECT + + CASE(1) + SELECT CASE(mesh%geometry) + CASE('Rad') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push1DRadNeutral + + CASE('Electrostatic') + self%pushParticle => push1DRadCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 1D Rad','initPusher') + + END SELECT + + CASE('Cart') + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push1DCartNeutral + + CASE('Electrostatic') + self%pushParticle => push1DCartCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for 1D Cart','initPusher') + + END SELECT + + END SELECT END SELECT @@ -172,7 +209,7 @@ MODULE moduleSolver END SUBROUTINE doPushes - !Push neutral particles in 3D cartesian coordinates + !Push neutral particles in cartesian coordinates PURE SUBROUTINE push3DCartNeutral(part, tauIn) USE moduleSPecies IMPLICIT NONE @@ -195,8 +232,6 @@ MODULE moduleSolver part_temp%v(3) = part%v(3) part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push3DCartNeutral @@ -228,8 +263,6 @@ MODULE moduleSolver part_temp%v(3) = part%v(3) + qmEFt(3) part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push3DCartCharged @@ -265,7 +298,7 @@ MODULE moduleSolver END IF part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -306,7 +339,7 @@ MODULE moduleSolver END IF part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -331,8 +364,6 @@ MODULE moduleSolver part_temp%v(2) = part%v(2) part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push2DCartNeutral @@ -360,8 +391,6 @@ MODULE moduleSolver part_temp%v(2) = part%v(2) + qmEFt(2) part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push2DCartCharged @@ -382,8 +411,6 @@ MODULE moduleSolver part_temp%v(1) = part%v(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push1DCartNeutral @@ -407,8 +434,6 @@ MODULE moduleSolver part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - part_temp%n_in = .FALSE. - part = part_temp END SUBROUTINE push1DCartCharged @@ -442,7 +467,7 @@ MODULE moduleSolver END IF part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -480,7 +505,7 @@ MODULE moduleSolver END IF part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - part_temp%n_in = .FALSE. !Assume particle is outside until cell is found + !Copy temporal particle to particle part=part_temp @@ -800,6 +825,9 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part CLASS(meshVol), POINTER:: volOld, volNew + !Assume that particle is outside the domain + part%n_in = .FALSE. + volOld => mesh%vols(part%vol)%obj CALL volOld%findCell(part) CALL findCellColl(part) From 771e336f872d5c8a2a08d6f8fb19bf77aa85caf3 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 8 Apr 2022 19:16:41 +0200 Subject: [PATCH 043/203] Cart pusher combined Now, all Cart pushers push particles in 3D, regardless the geometry. --- .gitignore | 1 + src/modules/moduleSolver.f90 | 168 ++++++----------------------------- 2 files changed, 26 insertions(+), 143 deletions(-) diff --git a/.gitignore b/.gitignore index f614574..b27c91c 100644 --- a/.gitignore +++ b/.gitignore @@ -4,4 +4,5 @@ obj/ doc/user_manual/ doc/coding_style/ json-fortran-8.2.0/ +json-fortran/ runs/ diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index ba39d4d..69132d2 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -72,51 +72,39 @@ MODULE moduleSolver CASE(0) self%pushParticle => push0D - CASE(3) - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push3DCartNeutral - - CASE('Electrostatic') - self%pushParticle => push3DCartCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 3D','initPusher') - - END SELECT - - CASE(2) + CASE(1:3) SELECT CASE(mesh%geometry) - CASE('Cyl') - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push2DCylNeutral - - CASE('Electrostatic') - self%pushParticle => push2DCylCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cyl','initPusher') - - END SELECT - CASE ('Cart') SELECT CASE(pusherType) CASE('Neutral') - self%pushParticle => push2DCartNeutral + self%pushParticle => pushCartNeutral CASE('Electrostatic') - self%pushParticle => push2DCartCharged + self%pushParticle => pushCartCharged CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 2D Cart','initPusher') + CALL criticalError('Pusher ' // pusherType // ' not found for Cart','initPusher') END SELECT + CASE('Cyl') + IF (self%dimen == 2) THEN + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral + + CASE('Electrostatic') + self%pushParticle => push2DCylCharged + + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') + + END SELECT + + END IF + END SELECT - CASE(1) - SELECT CASE(mesh%geometry) CASE('Rad') SELECT CASE(pusherType) CASE('Neutral') @@ -126,20 +114,7 @@ MODULE moduleSolver self%pushParticle => push1DRadCharged CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 1D Rad','initPusher') - - END SELECT - - CASE('Cart') - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push1DCartNeutral - - CASE('Electrostatic') - self%pushParticle => push1DCartCharged - - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for 1D Cart','initPusher') + CALL criticalError('Pusher ' // pusherType // ' not found for Rad','initPusher') END SELECT @@ -210,7 +185,7 @@ MODULE moduleSolver END SUBROUTINE doPushes !Push neutral particles in cartesian coordinates - PURE SUBROUTINE push3DCartNeutral(part, tauIn) + PURE SUBROUTINE pushCartNeutral(part, tauIn) USE moduleSPecies IMPLICIT NONE @@ -234,10 +209,10 @@ MODULE moduleSolver part = part_temp - END SUBROUTINE push3DCartNeutral + END SUBROUTINE pushCartNeutral !Push charged particles in 3D cartesian coordinates - PURE SUBROUTINE push3DCartCharged(part, tauIn) + PURE SUBROUTINE pushCartCharged(part, tauIn) USE moduleSPecies USE moduleEM IMPLICIT NONE @@ -265,7 +240,7 @@ MODULE moduleSolver part = part_temp - END SUBROUTINE push3DCartCharged + END SUBROUTINE pushCartCharged !Push one particle. Boris pusher for 2D Cyl Neutral particle PURE SUBROUTINE push2DCylNeutral(part, tauIn) @@ -345,99 +320,6 @@ MODULE moduleSolver END SUBROUTINE push2DCylCharged - !Push neutral particles in 2D cartesian coordinates - PURE SUBROUTINE push2DCartNeutral(part, tauIn) - USE moduleSPecies - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - part = part_temp - - END SUBROUTINE push2DCartNeutral - - !Push charged particles in 2D cartesian coordinates - PURE SUBROUTINE push2DCartCharged(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - REAL(8):: qmEFt(1:3) - - part_temp = part - !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn - - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) + qmEFt(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - part = part_temp - - END SUBROUTINE push2DCartCharged - - !Push neutral particles in 1D cartesian coordinates - PURE SUBROUTINE push1DCartNeutral(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - part = part_temp - - END SUBROUTINE push1DCartNeutral - - !Push charged particles in 1D cartesian coordinates - PURE SUBROUTINE push1DCartCharged(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - REAL(8):: qmEFt(1:3) - - part_temp = part - !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn - - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - part = part_temp - - END SUBROUTINE push1DCartCharged - !Push one particle. Boris pusher for 1D Radial Neutral particle PURE SUBROUTINE push1DRadNeutral(part, tauIn) USE moduleSpecies From 8006f9d7681fd10f0549dbdf14d49e870124c259 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 9 Apr 2022 08:57:06 +0200 Subject: [PATCH 044/203] First EM pusher First implementation of Electromagnetic pusher. Some testing is still required. Documentation needs to be upgraded to match the changes in this branch. --- src/modules/mesh/0D/moduleMesh0D.f90 | 12 ++ src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 23 ++++ src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 23 ++++ src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 53 ++++++++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 53 ++++++++ src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 28 ++++ .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 15 +++ src/modules/mesh/moduleMesh.f90 | 9 ++ src/modules/moduleEM.f90 | 17 +++ src/modules/moduleInput.f90 | 29 ++++- src/modules/moduleOutput.f90 | 1 + src/modules/moduleRefParam.f90 | 2 +- src/modules/moduleSolver.f90 | 123 ++++++++++-------- 13 files changed, 331 insertions(+), 57 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 79939cd..93fd4bd 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -19,6 +19,7 @@ MODULE moduleMesh0D PROCEDURE, PASS:: randPos => randPos0D PROCEDURE, NOPASS:: fPsi => fPsi0D PROCEDURE, PASS:: gatherEF => gatherEF0D + PROCEDURE, PASS:: gatherMF => gatherMF0D PROCEDURE, PASS:: elemK => elemK0D PROCEDURE, PASS:: elemF => elemF0D PROCEDURE, PASS:: phy2log => phy2log0D @@ -123,6 +124,17 @@ MODULE moduleMesh0D END FUNCTION gatherEF0D + PURE FUNCTION gatherMF0D(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol0D), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: MF(1:3) + + MF = 0.D0 + + END FUNCTION gatherMF0D + PURE FUNCTION elemK0D(self) RESULT(localK) IMPLICIT NONE diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 24b7287..fe755fa 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -77,6 +77,7 @@ MODULE moduleMesh1DCart PROCEDURE, PASS:: elemF => elemFSegm PROCEDURE, NOPASS:: inside => insideSegm PROCEDURE, PASS:: gatherEF => gatherEFSegm + PROCEDURE, PASS:: gatherMF => gatherMFSegm PROCEDURE, PASS:: getNodes => getNodesSegm PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: nextElement => nextElementSegm @@ -388,6 +389,28 @@ MODULE moduleMesh1DCart END FUNCTION gatherEFSegm + PURE FUNCTION gatherMFSegm(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:2) + REAL(8):: MF_Nodes(1:2, 1:3) + REAL(8):: MF(1:3) + REAL(8):: invJ + + MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFSegm + !Get nodes from 1D volume PURE FUNCTION getNodesSegm(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 7567ab9..6fc3c66 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -78,6 +78,7 @@ MODULE moduleMesh1DRad PROCEDURE, PASS:: elemF => elemFRad PROCEDURE, NOPASS:: inside => insideRad PROCEDURE, PASS:: gatherEF => gatherEFRad + PROCEDURE, PASS:: gatherMF => gatherMFRad PROCEDURE, PASS:: getNodes => getNodesRad PROCEDURE, PASS:: phy2log => phy2logRad PROCEDURE, PASS:: nextElement => nextElementRad @@ -400,6 +401,28 @@ MODULE moduleMesh1DRad END FUNCTION gatherEFRad + PURE FUNCTION gatherMFRad(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:2) + REAL(8):: MF_Nodes(1:2, 1:3) + REAL(8):: MF(1:3) + REAL(8):: invJ + + MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFRad + !Get nodes from 1D volume PURE FUNCTION getNodesRad(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index bc60a69..4b23ff1 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -85,6 +85,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: elemF => elemFQuad PROCEDURE, NOPASS:: inside => insideQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad + PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad @@ -114,6 +115,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: elemF => elemFTria PROCEDURE, NOPASS:: inside => insideTria PROCEDURE, PASS:: gatherEF => gatherEFTria + PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria @@ -505,6 +507,33 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFQuad + PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi(:), MF_Nodes) + + END FUNCTION gatherMFQuad + !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE @@ -816,6 +845,30 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFTria + PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:3) + REAL(8):: MF_Nodes(1:3,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) + MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) + MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTria + !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 62933d8..1e4e580 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -86,6 +86,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: elemF => elemFQuad PROCEDURE, NOPASS:: inside => insideQuad PROCEDURE, PASS:: gatherEF => gatherEFQuad + PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad @@ -115,6 +116,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: elemF => elemFTria PROCEDURE, NOPASS:: inside => insideTria PROCEDURE, PASS:: gatherEF => gatherEFTria + PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria @@ -526,6 +528,33 @@ MODULE moduleMesh2DCyl END FUNCTION gatherEFQuad + PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi(:), MF_Nodes) + + END FUNCTION gatherMFQuad + !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE @@ -845,6 +874,30 @@ MODULE moduleMesh2DCyl END FUNCTION gatherEFTria + PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:3) + REAL(8):: MF_Nodes(1:3,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) + MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) + MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTria + !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 477373f..d6a6391 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -78,6 +78,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: elemF => elemFTetra PROCEDURE, NOPASS:: inside => insideTetra PROCEDURE, PASS:: gatherEF => gatherEFTetra + PROCEDURE, PASS:: gatherMF => gatherMFTetra PROCEDURE, PASS:: getNodes => getNodesTetra PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: nextElement => nextElementTetra @@ -498,6 +499,33 @@ MODULE moduleMesh3DCart END FUNCTION gatherEFTetra + PURE FUNCTION gatherMFTetra(self, xi) RESULT(MF) + IMPLICIT NONE + + CLASS(meshVol3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: MF_Nodes(1:4,1:3) + REAL(8):: MF(1:3) + + MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + fPsi = self%fPsi(xi) + MF = MATMUL(fPsi, MF_Nodes) + + END FUNCTION gatherMFTetra + PURE FUNCTION getNodesTetra(self) RESULT(n) IMPLICIT NONE diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 66fe345..e63a73c 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -200,6 +200,21 @@ MODULE moduleMeshOutputGmsh2 WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref END DO WRITE(20, "(A)") '$EndElementData' + + WRITE(20, "(A)") '$NodeData' + WRITE(20, "(A)") '1' + WRITE(20, "(A)") '"Magnetic Field (T)"' + WRITE(20, *) 1 + WRITE(20, *) time + WRITE(20, *) 3 + WRITE(20, *) t + WRITE(20, *) 3 + WRITE(20, *) self%numNodes + DO n=1, self%numNodes + WRITE(20, *) n, self%nodes(n)%obj%emData%B * B_ref + END DO + WRITE(20, "(A)") '$EndNodeData' + CLOSE(20) END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 19283b5..9547304 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -166,6 +166,7 @@ MODULE moduleMesh PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi PROCEDURE, PASS:: scatter PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF + PROCEDURE(gatherMF_interface), DEFERRED, PASS:: gatherMF PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF PROCEDURE, PASS:: findCell @@ -194,6 +195,14 @@ MODULE moduleMesh END FUNCTION gatherEF_interface + PURE FUNCTION gatherMF_interface(self, xi) RESULT(MF) + IMPORT:: meshVol + CLASS(meshVol), INTENT(in):: self + REAL(8), INTENT(in):: xi(1:3) + REAL(8):: MF(1:3) + + END FUNCTION gatherMF_interface + PURE FUNCTION getNodesVol_interface(self) RESULT(n) IMPORT:: meshVol CLASS(meshVol), INTENT(in):: self diff --git a/src/modules/moduleEM.f90 b/src/modules/moduleEM.f90 index 876093e..ce91858 100644 --- a/src/modules/moduleEM.f90 +++ b/src/modules/moduleEM.f90 @@ -62,6 +62,23 @@ MODULE moduleEM END FUNCTION gatherElecField + PURE FUNCTION gatherMagnField(part) RESULT(BField) + USE moduleSpecies + USE moduleMesh + IMPLICIT NONE + + TYPE(particle), INTENT(in):: part + REAl(8):: xi(1:3) !Logical coordinates of particle in element + REAL(8):: BField(1:3) + + BField = 0.D0 + + xi = part%xi + + BField = mesh%vols(part%vol)%obj%gatherMF(xi) + + END FUNCTION gatherMagnField + SUBROUTINE assembleSourceVector(vectorF) USE moduleMesh USE moduleRefParam diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index d250954..31e2588 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -155,6 +155,7 @@ MODULE moduleInput Vol_ref = L_ref**3 !reference volume EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field Volt_ref = EF_ref*L_ref !reference voltage + B_ref = m_ref / (ti_ref * qe) !reference magnetic field END SUBROUTINE readReference @@ -177,8 +178,9 @@ MODULE moduleInput !simulation final and initial times in [t] REAL(8):: finalTime, initialTime CHARACTER(:), ALLOCATABLE:: pusherType, WSType, EMType + REAL(8):: B(1:3) INTEGER:: nTau, nSolver - INTEGER:: i + INTEGER:: i, n CHARACTER(2):: iString CHARACTER(1):: tString @@ -267,6 +269,31 @@ MODULE moduleInput !Read BC CALL readEMBoundary(config) + CASE("ConstantB") + !Read BC + CALL readEMBoundary(config) + !Read constant magnetic field + DO i = 1, 3 + WRITE(istring, '(i2)') i + CALL config%get(object // '.B(' // istring // ')', B(i), found) + IF (.NOT. found) THEN + CALL criticalError('Constant magnetic field not provided in direction ' // iString, 'readSolver') + + END IF + + END DO + + !Non-dimensional magnetic field + B = B / B_ref + + !Assign it to the nodes + DO n =1, mesh%numNodes + mesh%nodes(n)%obj%emData%B(1) = B(1) + mesh%nodes(n)%obj%emData%B(2) = B(2) + mesh%nodes(n)%obj%emData%B(3) = B(3) + + END DO + CASE DEFAULT CALL criticalError('EM Solver ' // EMType // ' not found', 'readSolver') diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 4a3f4da..ecc5462 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -11,6 +11,7 @@ MODULE moduleOutput TYPE emNode CHARACTER(:), ALLOCATABLE:: type REAL(8):: phi + REAL(8):: B(1:3) END TYPE emNode diff --git a/src/modules/moduleRefParam.f90 b/src/modules/moduleRefParam.f90 index 9d2b8d9..2dacc21 100644 --- a/src/modules/moduleRefParam.f90 +++ b/src/modules/moduleRefParam.f90 @@ -3,7 +3,7 @@ MODULE moduleRefParam !Parameters that define the problem (inputs) REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigma_ref !Reference parameters for non-dimensional problem - REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref + REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref END MODULE moduleRefParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 69132d2..6e23c6f 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -27,7 +27,7 @@ MODULE moduleSolver INTERFACE !Push a particle - PURE SUBROUTINE push_interafece(part, tauIn) + SUBROUTINE push_interafece(part, tauIn) USE moduleSpecies TYPE(particle), INTENT(inout):: part @@ -80,7 +80,10 @@ MODULE moduleSolver self%pushParticle => pushCartNeutral CASE('Electrostatic') - self%pushParticle => pushCartCharged + self%pushParticle => pushCartElectrostatic + + CASE('Electromagnetic') + self%pushParticle => pushCartElectromagnetic CASE DEFAULT CALL criticalError('Pusher ' // pusherType // ' not found for Cart','initPusher') @@ -88,22 +91,17 @@ MODULE moduleSolver END SELECT CASE('Cyl') - IF (self%dimen == 2) THEN - SELECT CASE(pusherType) - CASE('Neutral') - self%pushParticle => push2DCylNeutral + SELECT CASE(pusherType) + CASE('Neutral') + self%pushParticle => push2DCylNeutral - CASE('Electrostatic') - self%pushParticle => push2DCylCharged + CASE('Electrostatic') + self%pushParticle => push2DCylElectrostatic - CASE DEFAULT - CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') + CASE DEFAULT + CALL criticalError('Pusher ' // pusherType // ' not found for Cyl','initPusher') - END SELECT - - END IF - - END SELECT + END SELECT CASE('Rad') SELECT CASE(pusherType) @@ -111,7 +109,7 @@ MODULE moduleSolver self%pushParticle => push1DRadNeutral CASE('Electrostatic') - self%pushParticle => push1DRadCharged + self%pushParticle => push1DRadElectrostatic CASE DEFAULT CALL criticalError('Pusher ' // pusherType // ' not found for Rad','initPusher') @@ -134,7 +132,7 @@ MODULE moduleSolver CHARACTER(:), ALLOCATABLE:: EMType SELECT CASE(EMType) - CASE('Electrostatic') + CASE('Electrostatic','ConstantB') self%solveEM => solveElecField END SELECT @@ -191,56 +189,71 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - part_temp = part - - !x - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - - !y - part_temp%v(2) = part%v(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn - - !z - part_temp%v(3) = part%v(3) - part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn - - part = part_temp + part%r = part%r + part%v*tauIn END SUBROUTINE pushCartNeutral - !Push charged particles in 3D cartesian coordinates - PURE SUBROUTINE pushCartCharged(part, tauIn) + PURE SUBROUTINE pushCartElectrostatic(part, tauIn) USE moduleSPecies USE moduleEM IMPLICIT NONE TYPE(particle), INTENT(inout):: part REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp REAL(8):: qmEFt(1:3) - part_temp = part !Get the electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + qmEFt = part%qm*gatherElecField(part)*tauIn - !x - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + !Update velocity + part%v = part%v + qmEFt - !y - part_temp%v(2) = part%v(2) + qmEFt(2) - part_temp%r(2) = part%r(2) + part_temp%v(2)*tauIn + !Update position + part%r = part%r + part%v*tauIn - !z - part_temp%v(3) = part%v(3) + qmEFt(3) - part_temp%r(3) = part%r(3) + part_temp%v(3)*tauIn + END SUBROUTINE pushCartElectrostatic - part = part_temp + SUBROUTINE pushCartElectromagnetic(part, tauIn) + USE moduleSPecies + USE moduleEM + USE moduleMath + IMPLICIT NONE - END SUBROUTINE pushCartCharged + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: tauInHalf + REAL(8):: qmEFt(1:3) + REAL(8):: B(1:3), BNorm + REAL(8):: fn + REAL(8):: v_minus(1:3), v_prime(1:3), v_plus(1:3) + + tauInHalf = tauIn *0.5D0 + !Half of the force o f the electric field + qmEFt = part%qm*gatherElecField(part)*tauInHalf + + !Half step for electrostatic + v_minus = part%v + qmEFt + + !Full step rotation + B = gatherMagnField(part) + BNorm = NORM2(B) + IF (BNorm > 0.D0) THEN + fn = DTAN(part%qm * tauInHalf*BNorm) / Bnorm + v_prime = v_minus + fn * crossProduct(v_minus, B) + v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) + + PRINT *, v_minus, v_plus + + END IF + + !Half step for electrostatic + part%v = v_plus + qmEFt + + !Update position + part%r = part%r + part%v*tauIn + + END SUBROUTINE pushCartElectromagnetic !Push one particle. Boris pusher for 2D Cyl Neutral particle PURE SUBROUTINE push2DCylNeutral(part, tauIn) @@ -279,8 +292,8 @@ MODULE moduleSolver END SUBROUTINE push2DCylNeutral - !Push one particle. Boris pusher for 2D Cyl Charged particle - PURE SUBROUTINE push2DCylCharged(part, tauIn) + !Push one particle. Boris pusher for 2D Cyl Electrostatic particle + PURE SUBROUTINE push2DCylElectrostatic(part, tauIn) USE moduleSpecies USE moduleEM IMPLICIT NONE @@ -318,7 +331,7 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE push2DCylCharged + END SUBROUTINE push2DCylElectrostatic !Push one particle. Boris pusher for 1D Radial Neutral particle PURE SUBROUTINE push1DRadNeutral(part, tauIn) @@ -355,8 +368,8 @@ MODULE moduleSolver END SUBROUTINE push1DRadNeutral - !Push one particle. Boris pusher for 1D Radial Charged particle - PURE SUBROUTINE push1DRadCharged(part, tauIn) + !Push one particle. Boris pusher for 1D Radial Electrostatic particle + PURE SUBROUTINE push1DRadElectrostatic(part, tauIn) USE moduleSpecies USE moduleEM IMPLICIT NONE @@ -391,7 +404,7 @@ MODULE moduleSolver !Copy temporal particle to particle part=part_temp - END SUBROUTINE push1DRadCharged + END SUBROUTINE push1DRadElectrostatic !Dummy pusher for 0D geometry PURE SUBROUTINE push0D(part, tauIn) From 97718209cc923576663644c2b2870a7b9636ecf7 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 9 Apr 2022 09:00:40 +0200 Subject: [PATCH 045/203] Setting pushers as PURE Pushers were not set to PURE after testing. --- src/modules/moduleSolver.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 6e23c6f..4142549 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -27,7 +27,7 @@ MODULE moduleSolver INTERFACE !Push a particle - SUBROUTINE push_interafece(part, tauIn) + PURE SUBROUTINE push_interafece(part, tauIn) USE moduleSpecies TYPE(particle), INTENT(inout):: part @@ -214,7 +214,7 @@ MODULE moduleSolver END SUBROUTINE pushCartElectrostatic - SUBROUTINE pushCartElectromagnetic(part, tauIn) + PURE SUBROUTINE pushCartElectromagnetic(part, tauIn) USE moduleSPecies USE moduleEM USE moduleMath From 78a97ed7a0d5f238f014095c1ff45f9e7cbf8074 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 23 Apr 2022 18:57:27 +0200 Subject: [PATCH 046/203] Improve to collisions Improvement into the collision model to better compute number of particles collisions. --- src/modules/mesh/0D/moduleMesh0D.f90 | 2 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 2 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 2 +- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 4 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 74 ++++- src/modules/moduleCollisions.f90 | 324 ++++++++----------- src/modules/moduleInput.f90 | 18 +- src/modules/moduleMath.f90 | 10 + src/modules/moduleRefParam.f90 | 2 +- src/modules/moduleSolver.f90 | 2 - 12 files changed, 227 insertions(+), 219 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 93fd4bd..40ce55e 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -76,7 +76,7 @@ MODULE moduleMesh0D self%volume = 1.D0 self%n1%v = 1.D0 - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index fe755fa..f3f8131 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -216,7 +216,7 @@ MODULE moduleMesh1DCart self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 6fc3c66..c03e91d 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -218,7 +218,7 @@ MODULE moduleMesh1DRad self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4b23ff1..5c8a937 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -307,7 +307,7 @@ MODULE moduleMesh2DCart self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) @@ -634,7 +634,7 @@ MODULE moduleMesh2DCart self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1e4e580..d4192f1 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -295,7 +295,7 @@ MODULE moduleMesh2DCyl self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) @@ -655,7 +655,7 @@ MODULE moduleMesh2DCyl self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index d6a6391..24454d2 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -281,7 +281,7 @@ MODULE moduleMesh3DCart self%n3%v = self%n3%v + volNodes(3) self%n4%v = self%n4%v + volNodes(4) - self%sigmaVrelMax = sigma_ref/L_ref**2 + self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9547304..8cc2497 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -662,17 +662,24 @@ MODULE moduleMesh CLASS(meshVol), POINTER:: vol INTEGER:: nPart !Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision - INTEGER:: rnd !random index + TYPE(pointerArray), ALLOCATABLE:: partTemp(:) + INTEGER:: i, j !random particle indexes TYPE(particle), POINTER:: part_i, part_j INTEGER:: n !collision INTEGER:: ij, k - REAL(8):: sigmaVrelMaxNew - TYPE(pointerArray), ALLOCATABLE:: partTemp(:) + REAL(8):: vRel, eRel + REAL(8):: sigmaVrelTotal + REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) + REAL(8):: rnd !Random number for collision + INTEGER:: realCollisions IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) DO e=1, self%numVols + + realCollisions = 0 + vol => self%vols(e)%obj nPart = vol%listPart_in%amount @@ -694,21 +701,54 @@ MODULE moduleMesh END IF DO n = 1, vol%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) - + !Select random different particles + i = 0 + j = 0 + DO WHILE (i == j) + i = random(1, nPart) + j = random(1, nPart) END DO + part_i => partTemp(i)%part + part_j => partTemp(j)%part + !TODO: I think that from here forward it can be passed to a procedure in interactionMatrix + ij = interactionIndex(part_i%species%n, part_j%species%n) - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelMaxNew + IF (interactionMatrix(ij)%amount > 0) THEN + !Obtain the cross sections for the different processes + vRel = NORM2(part_i%v-part_j%v) + eRel = interactionMatrix(ij)%rMass*vRel**2 + CALL interactionMatrix(ij)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) + + !Update maximum sigma*v_rel + IF (sigmaVrelTotal > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelTotal + + END IF + + ALLOCATE(probabilityColl(0:interactionMatrix(ij)%amount)) + probabilityColl(0) = 0.0 + probabilityColl(1:interactionMatrix(ij)%amount) = sigmaVrel/vol%sigmaVrelMax + + !Selects random number between 0 and 1 + rnd = random() + + !If the random number is below the total probability of collision, do collisions + IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax) THEN + + !Loop over collisions + DO k = 1, interactionMatrix(ij)%amount + IF (SUM(probabilityColl(0:k-1)) + rnd <= probabilityColl(k)) THEN + CALL interactionMatrix(ij)%collisions(k)%obj%collide(part_i, part_j, vRel) + realCollisions = realCollisions + 1 + + END IF + + END DO + + END IF + + !Deallocate arrays for next collision + DEALLOCATE(sigmaVrel, probabilityColl) END IF @@ -716,6 +756,8 @@ MODULE moduleMesh END IF + vol%nColl = realCollisions + END DO !$OMP END DO diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 2f22204..b651236 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -7,8 +7,6 @@ MODULE moduleCollisions !Abstract type for collision between two particles TYPE, ABSTRACT:: collisionBinary - REAL(8):: rMass !Reduced mass - REAL(8):: sMassInv !Summed mass TYPE(table1D):: crossSec !cross section of collision CONTAINS PROCEDURE(collideBinary_interface), PASS, DEFERRED:: collide @@ -16,14 +14,13 @@ MODULE moduleCollisions END TYPE collisionBinary ABSTRACT INTERFACE - SUBROUTINE collideBinary_interface(self, sigmaVRelMax, sigmaVrelMaxNew, part_i, part_j) + SUBROUTINE collideBinary_interface(self, part_i, part_j, vRel) USE moduleSpecies IMPORT:: collisionBinary CLASS(collisionBinary), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j + REAL(8), INTENT(in):: vRel END SUBROUTINE @@ -71,9 +68,11 @@ MODULE moduleCollisions !Type for interaction matrix TYPE:: interactionsBinary INTEGER:: amount + REAL(8):: rMass !Reduced mass TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS PROCEDURE, PASS:: init => initInteractionBinary + PROCEDURE, PASS:: getSigmaVrel => getSigmaVrelBinary END TYPE interactionsBinary @@ -85,13 +84,14 @@ MODULE moduleCollisions CONTAINS !Velocity of center of mass of two particles PURE FUNCTION velocityCM(m_i, v_i, m_j, v_j) RESULT(vCM) + IMPLICIT NONE REAL(8), INTENT(in):: m_i, m_j REAL(8), INTENT(in), DIMENSION(1:3):: v_i, v_j REAL(8):: vCM(1:3) - vCM = (m_i*v_i + m_j*v_j)/(m_i + m_j) + vCM = (m_i*v_i + m_j*v_j) / (m_i + m_j) END FUNCTION velocityCM @@ -123,6 +123,9 @@ MODULE moduleCollisions nInteractions = (nSpecies*(nSpecies+1))/2 ALLOCATE(interactionMatrix(1:nInteractions)) + interactionMatrix(:)%amount = 0 + interactionMatrix(:)%rMass = 0.D0 + END SUBROUTINE initInteractionMatrix !Gets the interaction index from the collision matrix from index i,j @@ -139,21 +142,46 @@ MODULE moduleCollisions END FUNCTION interactionIndex !Inits the binary interaction - SUBROUTINE initInteractionBinary(self, amount) + SUBROUTINE initInteractionBinary(self, amount, mass_i, mass_j) + USE moduleMath IMPLICIT NONE CLASS(interactionsBinary), INTENT(inout):: self INTEGER, INTENT(in):: amount + REAL(8), INTENT(in):: mass_i, mass_j self%amount = amount + self%rMass = reducedMass(mass_i, mass_j) + ALLOCATE(self%collisions(1:self%amount)) END SUBROUTINE initInteractionBinary + SUBROUTINE getSigmaVrelBinary (self, vRel, eRel, sigmaVrelTotal, sigmaVrel) + IMPLICIT NONE + + CLASS(interactionsBinary), INTENT(in):: self + REAL(8), INTENT(in):: vRel, eRel + REAL(8), INTENT(out):: sigmaVrelTotal + REAL(8), INTENT(out), ALLOCATABLE:: sigmaVrel(:) + INTEGER:: k + + sigmaVrelTotal = 0.D0 + + ALLOCATE(sigmaVrel(1:self%amount)) + + DO k = 1, self%amount + sigmaVrel(k) = self%collisions(k)%obj%crossSec%get(eRel)*vRel + + END DO + sigmaVrelTotal = SUM(sigmaVrel) + + END SUBROUTINE getSigmaVrelBinary + !ELASTIC COLLISIONS !Inits binary elastic collision - SUBROUTINE initBinaryElastic(collision, crossSectionFilename, mass_i, mass_j) + SUBROUTINE initBinaryElastic(collision, crossSectionFilename) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -161,7 +189,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename - REAL(8), INTENT(in):: mass_i, mass_j ALLOCATE(collisionBinaryElastic:: collision) @@ -171,15 +198,10 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - END SUBROUTINE initBinaryElastic !Binary elastic process - SUBROUTINE collideBinaryElastic(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryElastic(self, part_i, part_j, vRel) USE moduleSpecies USE moduleConstParam USE moduleRandom @@ -187,38 +209,27 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryElastic), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - REAL(8):: sigmaVrel - REAL(8):: vRel !relative velocity - REAL(8):: eRel !relative energy + REAL(8), INTENT(in):: vRel REAL(8):: m_i, m_j REAL(8), DIMENSION(1:3):: vCM REAL(8):: vp(1:3) - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - m_i = part_i%species%m - m_j = part_j%species%m - !Applies the collision - vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) - vp = vRel*randomDirectionVHS() + m_i = part_i%species%m + m_j = part_j%species%m + !Applies the collision + vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) + vp = vRel*randomDirectionVHS() - !Assign velocities to particles - part_i%v = vCM + m_j*vp*self%sMassInv - part_j%v = vCM - m_i*vp*self%sMassInv - - END IF + !Assign velocities to particles + part_i%v = vCM + m_j*vp / (m_i + m_j) + part_j%v = vCM - m_i*vp / (m_i + m_j) END SUBROUTINE collideBinaryElastic !ELECTRON IMPACT IONIZATION !Inits electron impact ionization - SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, mass_i, mass_j, electron) + SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, electron) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -229,7 +240,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename REAL(8), INTENT(in):: energyThreshold - REAL(8), INTENT(in):: mass_i, mass_j CHARACTER(:), ALLOCATABLE, INTENT(in):: electron INTEGER:: electronIndex @@ -241,10 +251,6 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - !Specific parameters for ionization collision SELECT TYPE(collision) TYPE IS(collisionBinaryIonization) @@ -267,8 +273,7 @@ MODULE moduleCollisions END SUBROUTINE initBinaryIonization !Binary electron impact ionization process - SUBROUTINE collideBinaryIonization(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryIonization(self, part_i, part_j, vRel) USE moduleSpecies USE moduleErrors USE moduleList @@ -278,80 +283,71 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryIonization), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew TYPE(particle), INTENT(inout), TARGET:: part_i, part_j + REAL(8), INTENT(in):: vRel + REAL(8):: rMass, eRel TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() TYPE(particle), POINTER:: newElectron - REAL(8):: vRel, eRel - REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_e, vp_n - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 + rMass = reducedMass(part_i%species%m, part_j%species%m) + eRel = rMass*vRel**2 !Relative energy must be higher than threshold IF (eRel > self%eThreshold) THEN - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - !Find which particle is the ionizing electron - IF (ASSOCIATED(part_i%species, self%electron)) THEN - electron => part_i - neutral => part_j + IF (ASSOCIATED(part_i%species, self%electron)) THEN + electron => part_i + neutral => part_j - ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN - electron => part_j - neutral => part_i + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN + electron => part_j + neutral => part_i - ELSE - CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') - - END IF - - !Exchange energy between - vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) - vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) - - !Changes velocity of impacting electron - electron%v = vp_e - - !Creates a new electron from ionization - ALLOCATE(newElectron) - newElectron%species => electron%species - newElectron%v = vp_n - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%volColl = neutral%volColl - newElectron%weight = neutral%weight - newElectron%qm = electron%qm - - !Ionize neutral particle - SELECT TYPE(sp => neutral%species) - TYPE IS(speciesNeutral) - CALL sp%ionize(neutral) - - CLASS DEFAULT - CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') - - END SELECT - - !Adds new electron to list of new particles from collisions - CALL OMP_SET_LOCK(lockCollisions) - CALL partCollisions%add(newElectron) - CALL OMP_UNSET_LOCK(lockCollisions) + ELSE + CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') END IF + !Exchange energy between + vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) + vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) + + !Changes velocity of impacting electron + electron%v = vp_e + + !Creates a new electron from ionization + ALLOCATE(newElectron) + newElectron%species => electron%species + newElectron%v = vp_n + newElectron%r = neutral%r + newElectron%xi = neutral%xi + newElectron%n_in = .TRUE. + newElectron%vol = neutral%vol + newElectron%volColl = neutral%volColl + newElectron%weight = neutral%weight + newElectron%qm = electron%qm + + !Ionize neutral particle + SELECT TYPE(sp => neutral%species) + TYPE IS(speciesNeutral) + CALL sp%ionize(neutral) + + CLASS DEFAULT + CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + + END SELECT + + !Adds new electron to list of new particles from collisions + CALL OMP_SET_LOCK(lockCollisions) + CALL partCollisions%add(newElectron) + CALL OMP_UNSET_LOCK(lockCollisions) + END IF END SUBROUTINE collideBinaryIonization !ELECTRON ION RESONANT RECOMBINATION !Inits electron ion recombination - SUBROUTINE initBinaryRecombination(collision, crossSectionFilename, energyBinding, mass_i, mass_j, electron) + SUBROUTINE initBinaryRecombination(collision, crossSectionFilename, energyBinding, electron) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -362,7 +358,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename REAL(8), INTENT(in):: energyBinding - REAL(8), INTENT(in):: mass_i, mass_j CHARACTER(:), ALLOCATABLE, INTENT(in):: electron INTEGER:: electronIndex @@ -374,10 +369,6 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)*collision%sMassInv - !Specific parameters for ionization collision SELECT TYPE(collision) TYPE IS(collisionBinaryRecombination) @@ -399,9 +390,8 @@ MODULE moduleCollisions END SUBROUTINE initBinaryRecombination - !Binary electron impact ionization process - SUBROUTINE collideBinaryRecombination(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + !Binary recombination + SUBROUTINE collideBinaryRecombination(self, part_i, part_j, vRel) USE moduleSpecies USE moduleErrors USE moduleList @@ -410,59 +400,47 @@ MODULE moduleCollisions IMPLICIT NONE CLASS(collisionBinaryRecombination), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew + REAL(8), INTENT(in):: vRel TYPE(particle), INTENT(inout), TARGET:: part_i, part_j TYPE(particle), POINTER:: electron => NULL(), ion => NULL() - REAL(8):: vRel, eRel REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_i - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - !Relative energy must be higher than threshold - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - !Find which particle is the ionizing electron - IF (ASSOCIATED(part_i%species, self%electron)) THEN - electron => part_i - ion => part_j + IF (ASSOCIATED(part_i%species, self%electron)) THEN + electron => part_i + ion => part_j - ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN - electron => part_j - ion => part_i + ELSEIF(ASSOCIATED(part_j%species, self%electron)) THEN + electron => part_j + ion => part_i - ELSE - CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') - - END IF - - !Excess energy - !TODO: This energy should be transformed into photons - vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v)) - - !Remove electron from simulation - electron%n_in = .FALSE. - - !Neutralize ion particle - SELECT TYPE(sp => ion%species) - TYPE IS(speciesCharged) - CALL sp%neutralize(ion) - - CLASS DEFAULT - CALL criticalError(sp%name // " is not a charge", 'collideBinaryRecombination') - - END SELECT + ELSE + CALL criticalError("No matching between input particles and ionizing species", 'collideBinaryIonization') END IF + !Excess energy + !TODO: This energy should be transformed into photons + vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v)) + + !Remove electron from simulation + electron%n_in = .FALSE. + + !Neutralize ion particle + SELECT TYPE(sp => ion%species) + TYPE IS(speciesCharged) + CALL sp%neutralize(ion) + + CLASS DEFAULT + CALL criticalError(sp%name // " is not a charge", 'collideBinaryRecombination') + + END SELECT + END SUBROUTINE collideBinaryRecombination !RESONANT CHARGE EXCHANGE !Inits resonant charge exchange - SUBROUTINE initBinaryChargeExchange(collision, crossSectionFilename, mass_i, mass_j) + SUBROUTINE initBinaryChargeExchange(collision, crossSectionFilename) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -470,7 +448,6 @@ MODULE moduleCollisions CLASS(collisionBinary), INTENT(out), ALLOCATABLE:: collision CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename - REAL(8), INTENT(in):: mass_i, mass_j ALLOCATE(collisionBinaryChargeExchange:: collision) @@ -480,56 +457,39 @@ MODULE moduleCollisions !Convert to no-dimensional units CALL collision%crossSec%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) - !Calculates reduced mass - collision%sMassInv = 1.D0/(mass_i+mass_j) - collision%rMass = (mass_i*mass_j)/collision%sMassInv - END SUBROUTINE initBinaryChargeExchange - SUBROUTINE collideBinaryChargeExchange(self, sigmaVrelMax, sigmaVrelMaxNew, & - part_i, part_j) + SUBROUTINE collideBinaryChargeExchange(self, part_i, part_j, vRel) USE moduleSpecies USE moduleRandom USE moduleMath IMPLICIT NONE CLASS(collisionBinaryChargeExchange), INTENT(in):: self - REAL(8), INTENT(in):: sigmaVrelMax - REAL(8), INTENT(inout):: sigmaVrelMaxNew + REAL(8), INTENT(in):: vRel TYPE(particle), INTENT(inout), TARGET:: part_i, part_j - REAL(8):: sigmaVrel - REAL(8):: vRel !relative velocity - REAL(8):: eRel !relative energy - !eRel (in units of [m][L]^2[t]^-2 - vRel = NORM2(part_i%v-part_j%v) - eRel = self%rMass*vRel**2 - sigmaVrel = self%crossSec%get(eRel)*vRel - sigmaVrelMaxNew = sigmaVrelMaxNew + sigmaVrel - IF (sigmaVrelMaxNew/sigmaVrelMax > random()) THEN - SELECT TYPE(sp => part_i%species) - TYPE IS (speciesNeutral) - !Species i is neutral, ionize particle i - CALL sp%ionize(part_i) + SELECT TYPE(sp => part_i%species) + TYPE IS (speciesNeutral) + !Species i is neutral, ionize particle i + CALL sp%ionize(part_i) - TYPE IS (speciesCharged) - !Species i is charged, neutralize particle i - CALL sp%neutralize(part_i) + TYPE IS (speciesCharged) + !Species i is charged, neutralize particle i + CALL sp%neutralize(part_i) - END SELECT + END SELECT - SELECT TYPE(sp => part_j%species) - TYPE IS (speciesNeutral) - !Species j is neutral, ionize particle j - CALL sp%ionize(part_j) + SELECT TYPE(sp => part_j%species) + TYPE IS (speciesNeutral) + !Species j is neutral, ionize particle j + CALL sp%ionize(part_j) - TYPE IS (speciesCharged) - !Species j is charged, neutralize particle j - CALL sp%neutralize(part_j) + TYPE IS (speciesCharged) + !Species j is charged, neutralize particle j + CALL sp%neutralize(part_j) - END SELECT - - END IF + END SELECT END SUBROUTINE collideBinaryChargeExchange diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 31e2588..5d90f62 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -133,16 +133,16 @@ MODULE moduleInput IF (.NOT. found) CALL criticalError('Reference temperature not found','readReference') !If a reference cross section is given, it is used - CALL config%get(object // '.crossSection', sigma_ref, found) + CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) !If not, the reference radius is searched IF (.NOT. found) THEN CALL config%get(object // '.radius', r_ref, found) IF (found) THEN - sigma_ref = PI*(r_ref+r_ref)**2 !reference cross section + sigmaVrel_ref = PI*(r_ref+r_ref)**2*v_ref !reference cross section times velocity ELSE - sigma_ref = 0.D0 !Assume no collisions + sigmaVrel_ref = 0.D0 !Assume no collisions END IF @@ -685,7 +685,7 @@ MODULE moduleInput CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) !Allocates the required number of collisions per each pair of species ij - CALL interactionMatrix(ij)%init(nCollisions) + CALL interactionMatrix(ij)%init(nCollisions, species(pt_i)%obj%m, species(pt_j)%obj%m) DO k = 1, nCollisions WRITE (kString, '(I2)') k @@ -700,13 +700,11 @@ MODULE moduleInput SELECT CASE(cType) CASE ('elastic') !Elastic collision - CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + CALL initBinaryElastic(interactionMatrix(ij)%collisions(k)%obj, crossSecFilePath) CASE ('chargeExchange') !Resonant charge exchange - CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, species(pt_i)%obj%m, species(pt_j)%obj%m) + CALL initBinaryChargeExchange(interactionMatrix(ij)%collisions(k)%obj, crossSecFilePath) CASE ('ionization') !Electorn impact ionization @@ -715,7 +713,7 @@ MODULE moduleInput CALL config%get(object // '.electron', electron, found) IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyThreshold, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + crossSecFilePath, energyThreshold, electron) CASE ('recombination') !Electorn impact ionization @@ -724,7 +722,7 @@ MODULE moduleInput CALL config%get(object // '.electron', electron, found) IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') CALL initBinaryRecombination(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyBinding, species(pt_i)%obj%m, species(pt_j)%obj%m, electron) + crossSecFilePath, energyBinding, electron) CASE DEFAULT CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 index 9bc8453..ca8d780 100644 --- a/src/modules/moduleMath.f90 +++ b/src/modules/moduleMath.f90 @@ -49,4 +49,14 @@ MODULE moduleMath END FUNCTION norm1 + PURE FUNCTION reducedMass(m_i, m_j) RESULT(rMass) + IMPLICIT NONE + + REAL(8), INTENT(in):: m_i, m_j + REAL(8):: rMass + + rMass = (m_i * m_j) / (m_i + m_j) + + END FUNCTION + END MODULE moduleMath diff --git a/src/modules/moduleRefParam.f90 b/src/modules/moduleRefParam.f90 index 2dacc21..051190b 100644 --- a/src/modules/moduleRefParam.f90 +++ b/src/modules/moduleRefParam.f90 @@ -1,7 +1,7 @@ !Reference parameters MODULE moduleRefParam !Parameters that define the problem (inputs) - REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigma_ref + REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigmaVrel_ref !Reference parameters for non-dimensional problem REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4142549..48d3dbc 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -243,8 +243,6 @@ MODULE moduleSolver v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) - PRINT *, v_minus, v_plus - END IF !Half step for electrostatic From 4e9514876e2dcaa0b6a26045cc308efbfaefff31 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 23 Apr 2022 19:00:33 +0200 Subject: [PATCH 047/203] Number of collisions per collision pair Now the number of collisions is calculated per species pair. This allows that the randomly particles selected for collisions do not have collisions assigned. --- src/modules/mesh/0D/moduleMesh0D.f90 | 4 + src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 3 + src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 3 + src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 6 ++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 6 ++ src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 3 + src/modules/mesh/moduleMesh.f90 | 104 ++++++++++++------- src/modules/moduleCollisions.f90 | 8 +- src/modules/moduleInput.f90 | 2 +- src/modules/moduleSolver.f90 | 18 +++- 10 files changed, 111 insertions(+), 46 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 93fd4bd..6bae02f 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -63,6 +63,7 @@ MODULE moduleMesh0D !Inits dummy 0D volume SUBROUTINE initVol0D(self, n, p, nodes) USE moduleRefParam + USE moduleSpecies IMPLICIT NONE CLASS(meshVol0D), INTENT(out):: self @@ -80,6 +81,9 @@ MODULE moduleMesh0D CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol0D PURE FUNCTION getNodes0D(self) RESULT(n) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index fe755fa..9c8b039 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -220,6 +220,9 @@ MODULE moduleMesh1DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol1DCartSegm !Calculates a random position in 1D volume diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 6fc3c66..20c732e 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -222,6 +222,9 @@ MODULE moduleMesh1DRad CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVol1DRadSegm !Calculates a random position in 1D volume diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4b23ff1..e0765da 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -311,6 +311,9 @@ MODULE moduleMesh2DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolQuad2DCart !Computes element area @@ -638,6 +641,9 @@ MODULE moduleMesh2DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTria2DCart !Random position in quadrilateral volume diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1e4e580..a12aec8 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -299,6 +299,9 @@ MODULE moduleMesh2DCyl CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolQuad2DCyl !Computes element area @@ -659,6 +662,9 @@ MODULE moduleMesh2DCyl CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTria2DCyl !Random position in quadrilateral volume diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index d6a6391..b310457 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -285,6 +285,9 @@ MODULE moduleMesh3DCart CALL OMP_INIT_LOCK(self%lock) + ALLOCATE(self%listPart_in(1:nSpecies)) + ALLOCATE(self%totalWeight(1:nSpecies)) + END SUBROUTINE initVolTetra3DCart !Random position in volume tetrahedron diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9547304..a4b88cf 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -152,13 +152,13 @@ MODULE moduleMesh !Volume REAL(8):: volume = 0.D0 !List of particles inside the volume - TYPE(listNode):: listPart_in + TYPE(listNode), ALLOCATABLE:: listPart_in(:) !Lock indicator for listPart_in INTEGER(KIND=OMP_LOCK_KIND):: lock !Number of collisions per volume INTEGER:: nColl = 0 !Total weight of particles inside cell - REAL(8):: totalWeight = 0.D0 + REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS PROCEDURE(initVol_interface), DEFERRED, PASS:: init PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes @@ -516,6 +516,7 @@ MODULE moduleMesh CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell REAL(8):: xi(1:3) CLASS(meshElement), POINTER:: nextElement + INTEGER:: sp xi = self%phy2log(part%r) !Checks if particle is inside 'self' cell @@ -525,8 +526,9 @@ MODULE moduleMesh part%n_in = .TRUE. !Assign particle to listPart_in CALL OMP_SET_LOCK(self%lock) - CALL self%listPart_in%add(part) - self%totalWeight = self%totalWeight + part%weight + sp = part%species%n + CALL self%listPart_in(sp)%add(part) + self%totalWeight(sp) = self%totalWeight(sp) + part%weight CALL OMP_UNSET_LOCK(self%lock) ELSE @@ -586,6 +588,7 @@ MODULE moduleMesh CLASS(meshVol), POINTER:: vol REAL(8), DIMENSION(1:3):: xii CLASS(meshElement), POINTER:: nextElement + INTEGER:: sp found = .FALSE. @@ -595,8 +598,9 @@ MODULE moduleMesh IF (vol%inside(xii)) THEN part%volColl = vol%n CALL OMP_SET_LOCK(vol%lock) - CALL vol%listPart_in%add(part) - vol%totalWeight = vol%totalWeight + part%weight + sp = part%species%n + CALL vol%listPart_in(sp)%add(part) + vol%totalWeight(sp) = vol%totalWeight(sp) + part%weight CALL OMP_UNSET_LOCK(vol%lock) found = .TRUE. @@ -660,61 +664,83 @@ MODULE moduleMesh INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshVol), POINTER:: vol - INTEGER:: nPart !Number of particles inside the cell + INTEGER:: k, nPairs, i, j + INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision + TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) INTEGER:: rnd !random index TYPE(particle), POINTER:: part_i, part_j - INTEGER:: n !collision - INTEGER:: ij, k + INTEGER:: n, c REAL(8):: sigmaVrelMaxNew - TYPE(pointerArray), ALLOCATABLE:: partTemp(:) IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) DO e=1, self%numVols vol => self%vols(e)%obj - nPart = vol%listPart_in%amount - !Resets the number of collisions - vol%nColl = 0 + !TODO: Simplify this, to many sublevels + !Iterate over the number of pairs + nPairs = SIZE(interactionMatrix) !TODO: This does not change, make a variable in a module + DO k = 1, nPairs + IF (interactionMatrix(k)%amount > 0) THEN + !Select the species for the collision pair + i = interactionMatrix(k)%sp_i%n + j = interactionMatrix(k)%sp_j%n - !Calculates number of collisions if there is more than one particle in the cell - IF (nPart > 1) THEN - !Probability of collision - pMax = vol%totalWeight*vol%sigmaVrelMax*tauColl/vol%volume + !Number of particles per species in the collision pair + nPart_i = vol%listPart_in(i)%amount + nPart_j = vol%listPart_in(j)%amount - !Number of collisions in the cell - vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) + IF (nPart_i > 0 .AND. nPart_j > 0) THEN + !Total number of particles for the collision pair + nPart = nPart_i + nPart_j - IF (vol%nColl > 0) THEN - !Converts the list of particles to an array for easy access - partTemp = vol%listPart_in%convert2Array() + !Resets the number of collisions in the cell + vol%nColl = 0 - END IF + !Probability of collision for pair i-j + pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume - DO n = 1, vol%nColl - !Select random numbers - rnd = random(1, nPart) - part_i => partTemp(rnd)%part - rnd = random(1, nPart) - part_j => partTemp(rnd)%part - ij = interactionIndex(part_i%species%n, part_j%species%n) - sigmaVrelMaxNew = 0.D0 - DO k = 1, interactionMatrix(ij)%amount - CALL interactionMatrix(ij)%collisions(k)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) + !Number of collisions in the cell + vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) - END DO + !Converts the list of particles to an array for easy access + IF (vol%nColl > 0) THEN + partTemp_i = vol%listPart_in(i)%convert2Array() + partTemp_j = vol%listPart_in(j)%convert2Array() - !Update maximum cross section*v_rel per each collision - IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelMaxNew + END IF + + !Do collisions + DO n = 1, vol%nColl + !Select random particles + rnd = random(1, nPart_i) + part_i => partTemp_i(rnd)%part + rnd = random(1, nPart_j) + part_j => partTemp_j(rnd)%part + + !Check all possible collisions in the pair + !TODO: Stop when collision occurs (and count it) + sigmaVrelMaxNew = 0.D0 + DO c = 1, interactionMatrix(k)%amount + CALL interactionMatrix(k)%collisions(c)%obj%collide(vol%sigmaVrelMax, sigmaVrelMaxNew, part_i, part_j) + + END DO + + !Update maximum cross section*v_rel per each collision + IF (sigmaVrelMaxNew > vol%sigmaVrelMax) THEN + vol%sigmaVrelMax = sigmaVrelMaxNew + + END IF + + END DO END IF - END DO + END IF - END IF + END DO END DO !$OMP END DO diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 2f22204..394b3cb 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -70,6 +70,8 @@ MODULE moduleCollisions !Type for interaction matrix TYPE:: interactionsBinary + CLASS(speciesGeneric), POINTER:: sp_i + CLASS(speciesGeneric), POINTER:: sp_j INTEGER:: amount TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS @@ -139,11 +141,15 @@ MODULE moduleCollisions END FUNCTION interactionIndex !Inits the binary interaction - SUBROUTINE initInteractionBinary(self, amount) + SUBROUTINE initInteractionBinary(self, amount, i, j) IMPLICIT NONE CLASS(interactionsBinary), INTENT(inout):: self INTEGER, INTENT(in):: amount + INTEGER, INTENT(in):: i, j + + self%sp_i => species(i)%obj + self%sp_j => species(j)%obj self%amount = amount diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 31e2588..4ceca04 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -685,7 +685,7 @@ MODULE moduleInput CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) !Allocates the required number of collisions per each pair of species ij - CALL interactionMatrix(ij)%init(nCollisions) + CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j) DO k = 1, nCollisions WRITE (kString, '(I2)') k diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4142549..b89c7e8 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -243,8 +243,6 @@ MODULE moduleSolver v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) - PRINT *, v_minus, v_plus - END IF !Half step for electrostatic @@ -459,6 +457,7 @@ MODULE moduleSolver INTEGER, SAVE:: nPartNew INTEGER, SAVE:: nInjIn, nOldIn, nWScheme, nCollisions, nSurfaces TYPE(particle), ALLOCATABLE, SAVE:: partTemp(:) + INTEGER:: s !$OMP SECTIONS !$OMP SECTION @@ -545,7 +544,10 @@ MODULE moduleSolver !Erase the list of particles inside the cell DO e = 1, mesh%numVols mesh%vols(e)%obj%totalWeight = 0.D0 - CALL mesh%vols(e)%obj%listPart_in%erase() + DO s = 1, nSpecies + CALL mesh%vols(e)%obj%listPart_in(s)%erase() + + END DO END DO @@ -553,7 +555,10 @@ MODULE moduleSolver !Erase the list of particles inside the cell in coll mesh DO e = 1, meshColl%numVols meshColl%vols(e)%obj%totalWeight = 0.D0 - CALL meshColl%vols(e)%obj%listPart_in%erase() + DO s = 1, nSpecies + CALL meshColl%vols(e)%obj%listPart_in(s)%erase() + + END DO END DO @@ -687,6 +692,7 @@ MODULE moduleSolver REAL(8):: newWeight TYPE(particle), POINTER:: newPart INTEGER:: p + INTEGER:: sp newWeight = part%weight / nSplit @@ -699,12 +705,14 @@ MODULE moduleSolver ALLOCATE(newPart) !Copy data from original particle newPart = part + !Add particle to list of new particles from weighting scheme CALL OMP_SET_LOCK(lockWScheme) CALL partWScheme%add(newPart) CALL OMP_UNSET_LOCK(lockWScheme) !Add particle to cell list CALL OMP_SET_lock(vol%lock) - CALL vol%listPart_in%add(newPart) + sp = part%species%n + CALL vol%listPart_in(sp)%add(newPart) CALL OMP_UNSET_lock(vol%lock) END DO From 23e2fe9bae8758ae617e90d3a5521a42464d5a8b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 10 Jun 2022 16:07:14 +0200 Subject: [PATCH 048/203] I'm dying with hay fever but I have to commit I'm feeling awful but I have work in my desktop that I need to commit so I can work with my laptop while I'm at the IEPC 2022 in Boston. --- data/collisions/EL_e-Ar.dat | 3 + data/collisions/IO_e-Li.dat | 148 ++++++++++++++++++ src/modules/mesh/0D/moduleMesh0D.f90 | 2 - src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 2 - src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 2 - src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 - src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 4 - src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 2 - .../mesh/inout/0D/moduleMeshOutput0D.f90 | 3 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 29 ++-- src/modules/mesh/moduleMesh.f90 | 65 +++++--- src/modules/mesh/moduleMeshBoundary.f90 | 7 - src/modules/moduleCollisions.f90 | 70 +++++---- src/modules/moduleInject.f90 | 35 +++-- src/modules/moduleInput.f90 | 58 ++++--- src/modules/moduleSolver.f90 | 14 +- src/modules/moduleSpecies.f90 | 5 +- 17 files changed, 313 insertions(+), 140 deletions(-) create mode 100644 data/collisions/EL_e-Ar.dat create mode 100644 data/collisions/IO_e-Li.dat diff --git a/data/collisions/EL_e-Ar.dat b/data/collisions/EL_e-Ar.dat new file mode 100644 index 0000000..097729e --- /dev/null +++ b/data/collisions/EL_e-Ar.dat @@ -0,0 +1,3 @@ +# Relative energy (eV) cross section (m^2) +0.0 1e-20 +1000.0 1e-20 diff --git a/data/collisions/IO_e-Li.dat b/data/collisions/IO_e-Li.dat new file mode 100644 index 0000000..5e646f4 --- /dev/null +++ b/data/collisions/IO_e-Li.dat @@ -0,0 +1,148 @@ +# Rusudan I., et al., Atoms 9(4):90 2021 +# Relative energy (eV) cross section (m^2) +5.393 1.061E-23 +6.000 5.885E-21 +7.000 1.352E-20 +8.000 1.927E-20 +9.000 2.364E-20 +10.000 2.698E-20 +11.000 2.956E-20 +12.000 3.156E-20 +13.000 3.309E-20 +14.000 3.427E-20 +15.000 3.517E-20 +16.000 3.585E-20 +17.000 3.635E-20 +18.000 3.670E-20 +19.000 3.694E-20 +20.000 3.708E-20 +21.000 3.714E-20 +22.000 3.714E-20 +23.000 3.709E-20 +24.000 3.700E-20 +25.000 3.686E-20 +26.000 3.671E-20 +27.000 3.652E-20 +28.000 3.632E-20 +29.000 3.610E-20 +30.000 3.588E-20 +31.000 3.564E-20 +32.000 3.539E-20 +33.000 3.514E-20 +34.000 3.488E-20 +35.000 3.462E-20 +36.000 3.435E-20 +37.000 3.409E-20 +38.000 3.383E-20 +39.000 3.356E-20 +40.000 3.330E-20 +41.000 3.304E-20 +42.000 3.277E-20 +43.000 3.252E-20 +44.000 3.226E-20 +45.000 3.201E-20 +46.000 3.175E-20 +47.000 3.151E-20 +48.000 3.126E-20 +49.000 3.102E-20 +50.000 3.078E-20 +51.000 3.054E-20 +52.000 3.031E-20 +53.000 3.008E-20 +54.000 2.985E-20 +55.000 2.963E-20 +56.000 2.941E-20 +57.000 2.919E-20 +58.000 2.898E-20 +59.000 2.877E-20 +60.000 2.856E-20 +61.000 2.835E-20 +62.000 2.815E-20 +63.000 2.795E-20 +64.000 2.776E-20 +65.000 2.756E-20 +66.000 2.737E-20 +67.000 2.719E-20 +68.000 2.700E-20 +69.000 2.682E-20 +70.000 2.664E-20 +71.000 2.646E-20 +72.000 2.629E-20 +73.000 2.612E-20 +74.000 2.595E-20 +75.000 2.578E-20 +76.000 2.562E-20 +77.000 2.546E-20 +78.000 2.530E-20 +79.000 2.514E-20 +80.000 2.499E-20 +81.000 2.483E-20 +82.000 2.468E-20 +83.000 2.453E-20 +84.000 2.439E-20 +85.000 2.424E-20 +86.000 2.410E-20 +87.000 2.396E-20 +88.000 2.382E-20 +89.000 2.369E-20 +90.000 2.355E-20 +91.000 2.342E-20 +92.000 2.329E-20 +93.000 2.316E-20 +94.000 2.303E-20 +95.000 2.290E-20 +96.000 2.278E-20 +97.000 2.266E-20 +98.000 2.253E-20 +99.000 2.241E-20 +100.000 2.230E-20 +101.000 2.218E-20 +102.000 2.206E-20 +103.000 2.195E-20 +104.000 2.184E-20 +105.000 2.173E-20 +106.000 2.162E-20 +107.000 2.151E-20 +108.000 2.140E-20 +109.000 2.129E-20 +110.000 2.119E-20 +111.000 2.109E-20 +112.000 2.098E-20 +113.000 2.088E-20 +114.000 2.078E-20 +115.000 2.068E-20 +116.000 2.059E-20 +117.000 2.049E-20 +118.000 2.039E-20 +119.000 2.030E-20 +120.000 2.021E-20 +121.000 2.011E-20 +122.000 2.002E-20 +123.000 1.993E-20 +124.000 1.984E-20 +125.000 1.976E-20 +126.000 1.967E-20 +127.000 1.958E-20 +128.000 1.950E-20 +129.000 1.941E-20 +130.000 1.933E-20 +131.000 1.924E-20 +132.000 1.916E-20 +133.000 1.908E-20 +134.000 1.900E-20 +135.000 1.892E-20 +136.000 1.884E-20 +137.000 1.877E-20 +138.000 1.869E-20 +139.000 1.861E-20 +140.000 1.854E-20 +141.000 1.846E-20 +142.000 1.839E-20 +143.000 1.831E-20 +144.000 1.824E-20 +145.000 1.817E-20 +146.000 1.810E-20 +147.000 1.803E-20 +148.000 1.796E-20 +149.000 1.789E-20 +150.000 1.782E-20 diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index d908dd5..8e8072d 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -77,8 +77,6 @@ MODULE moduleMesh0D self%volume = 1.D0 self%n1%v = 1.D0 - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 2ad9251..0a846d9 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -216,8 +216,6 @@ MODULE moduleMesh1DCart self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d8c0cb1..57619ee 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -218,8 +218,6 @@ MODULE moduleMesh1DRad self%n1%v = self%n1%v + self%arNodes(1) self%n2%v = self%n2%v + self%arNodes(2) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 8be8473..d01c0e4 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -307,8 +307,6 @@ MODULE moduleMesh2DCart self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) @@ -637,8 +635,6 @@ MODULE moduleMesh2DCart self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 02ff673..0a6b7f4 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -295,8 +295,6 @@ MODULE moduleMesh2DCyl self%n3%v = self%n3%v + self%arNodes(3) self%n4%v = self%n4%v + self%arNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) @@ -658,8 +656,6 @@ MODULE moduleMesh2DCyl self%n2%v = self%n2%v + self%arNodes(2) self%n3%v = self%n3%v + self%arNodes(3) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 23acdd2..0add18a 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -281,8 +281,6 @@ MODULE moduleMesh3DCart self%n3%v = self%n3%v + volNodes(3) self%n4%v = self%n4%v + volNodes(4) - self%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) - CALL OMP_INIT_LOCK(self%lock) ALLOCATE(self%listPart_in(1:nSpecies)) diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 13e25ff..15045b1 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -45,6 +45,7 @@ MODULE moduleMeshOutput0D CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t CHARACTER(:), ALLOCATABLE:: fileName + INTEGER:: k fileName='OUTPUT_Collisions.dat' IF (t == 0) THEN @@ -56,7 +57,7 @@ MODULE moduleMeshOutput0D END IF OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE(20, "(ES20.6E3, I20)") REAL(t)*tauMin*ti_ref, self%vols(1)%obj%nColl + WRITE(20, "(ES20.6E3, 10I20)") REAL(t)*tauMin*ti_ref, (self%vols(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index e63a73c..40eda4f 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -98,6 +98,7 @@ MODULE moduleMeshOutputGmsh2 CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t INTEGER:: numEdges + INTEGER:: k, c INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName @@ -125,19 +126,23 @@ MODULE moduleMeshOutputGmsh2 WRITE(60, "(A)") '$MeshFormat' WRITE(60, "(A)") '2.2 0 8' WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$ElementData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"Collisions"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numVols - DO n=1, self%numVols - WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%nColl + DO k = 1, nCollPairs + DO c = 1, interactionMatrix(k)%amount + WRITE(60, "(A)") '$ElementData' + WRITE(60, "(A)") '1' + WRITE(60, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + WRITE(60, *) 1 + WRITE(60, *) time + WRITE(60, *) 3 + WRITE(60, *) t + WRITE(60, *) 1 + WRITE(60, *) self%numVols + DO n=1, self%numVols + WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) + END DO + WRITE(60, "(A)") '$EndElementData' + END DO END DO - WRITE(60, "(A)") '$EndElementData' CLOSE(60) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index e7d98f3..142b78d 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -3,6 +3,7 @@ MODULE moduleMesh USE moduleList USE moduleOutput USE moduleBoundary + USE moduleCollisions IMPLICIT NONE !Generic mesh element @@ -148,15 +149,15 @@ MODULE moduleMesh !Parent of Volume element TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshVol !Maximum collision rate - REAL(8):: sigmaVrelMax = 0.D0 + REAL(8), ALLOCATABLE:: sigmaVrelMax(:) + !Arrays for counting number of collisions + TYPE(tallyCollisions), ALLOCATABLE:: tallyColl(:) !Volume REAL(8):: volume = 0.D0 !List of particles inside the volume TYPE(listNode), ALLOCATABLE:: listPart_in(:) !Lock indicator for listPart_in INTEGER(KIND=OMP_LOCK_KIND):: lock - !Number of collisions per volume - INTEGER:: nColl = 0 !Total weight of particles inside cell REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS @@ -658,15 +659,17 @@ MODULE moduleMesh USE moduleList use moduleRefParam USE moduleRandom + USE moduleOutput IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshVol), POINTER:: vol - INTEGER:: k, nPairs, i, j + INTEGER:: k, i, j INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision + INTEGER:: nColl TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) TYPE(particle), POINTER:: part_i, part_j INTEGER:: n, c @@ -674,21 +677,23 @@ MODULE moduleMesh REAL(8):: sigmaVrelTotal REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) REAL(8):: rnd !Random number for collision - INTEGER:: realCollisions IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration - !$OMP DO SCHEDULE(DYNAMIC) + !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(part_i, part_j, partTemp_i, partTemp_j) DO e=1, self%numVols - realCollisions = 0 - vol => self%vols(e)%obj !TODO: Simplify this, to many sublevels !Iterate over the number of pairs - nPairs = SIZE(interactionMatrix) !TODO: This does not change, make a variable in a module - DO k = 1, nPairs + DO k = 1, nCollPairs + !Reset tally of collisions + IF (collOutput) THEN + vol%tallyColl(k)%tally = 0 + + END IF + IF (interactionMatrix(k)%amount > 0) THEN !Select the species for the collision pair i = interactionMatrix(k)%sp_i%n @@ -703,22 +708,22 @@ MODULE moduleMesh nPart = nPart_i + nPart_j !Resets the number of collisions in the cell - vol%nColl = 0 + nColl = 0 !Probability of collision for pair i-j - pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax*tauColl/vol%volume + pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax(k)*tauColl/vol%volume !Number of collisions in the cell - vol%nColl = NINT(REAL(nPart)*pMax*0.5D0) + nColl = NINT(REAL(nPart)*pMax*0.5D0) !Converts the list of particles to an array for easy access - IF (vol%nColl > 0) THEN + IF (nColl > 0) THEN partTemp_i = vol%listPart_in(i)%convert2Array() partTemp_j = vol%listPart_in(j)%convert2Array() END IF - DO n = 1, vol%nColl + DO n = 1, nColl !Select random particles part_i => NULL() part_j => NULL() @@ -735,13 +740,12 @@ MODULE moduleMesh !If particles do not belong to the species, skip collision !This can happen, for example, if particle has been previously ionized or removed - !TODO: Try to find a way to no lose these collisions. Check new 'k' and use that for the collision, maybe? + !TODO: Try to find a way to no lose these collisions. Maybe check new 'k' and use that for the collision, maybe? IF (part_i%species%n /= i .OR. & part_j%species%n /= j) THEN CYCLE END IF - !Obtain the cross sections for the different processes !TODO: From here it might be a procedure in interactionMatrix vRel = NORM2(part_i%v-part_j%v) @@ -749,26 +753,34 @@ MODULE moduleMesh CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) !Update maximum sigma*v_rel - IF (sigmaVrelTotal > vol%sigmaVrelMax) THEN - vol%sigmaVrelMax = sigmaVrelTotal + IF (sigmaVrelTotal > vol%sigmaVrelMax(k)) THEN + vol%sigmaVrelMax(k) = sigmaVrelTotal END IF ALLOCATE(probabilityColl(0:interactionMatrix(k)%amount)) - probabilityColl(0) = 0.0 - probabilityColl(1:interactionMatrix(k)%amount) = sigmaVrel/vol%sigmaVrelMax + probabilityColl = 0.0 + DO c = 1, interactionMatrix(k)%amount + probabilityColl(c) = sigmaVrel(c)/vol%sigmaVrelMax(k) + SUM(probabilityColl(0:c-1)) + + END DO !Selects random number between 0 and 1 rnd = random() !If the random number is below the total probability of collision, collide particles - IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax) THEN + IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax(k)) THEN !Loop over collisions DO c = 1, interactionMatrix(k)%amount - IF (SUM(probabilityColl(0:c-1)) + rnd <= probabilityColl(c)) THEN + IF (rnd <= probabilityColl(c)) THEN CALL interactionMatrix(k)%collisions(c)%obj%collide(part_i, part_j, vRel) - realCollisions = realCollisions + 1 + + !If collisions are gonna be output, count the collision + IF (collOutput) THEN + vol%tallyColl(k)%tally(c) = vol%tallyColl(k)%tally(c) + 1 + + END IF !A collision has ocurred, exit the loop EXIT @@ -782,16 +794,17 @@ MODULE moduleMesh !Deallocate arrays for next collision DEALLOCATE(sigmaVrel, probabilityColl) + !End loop collisions in cell END DO END IF END IF + !End loop collision pairs END DO - vol%nColl = realCollisions - + !End loop volumes END DO !$OMP END DO diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 4f54e92..5f3bc26 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -159,13 +159,6 @@ MODULE moduleMeshBoundary newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) newIon%xi = newElectron%xi - newElectron%qm = part%qm - SELECT TYPE(spe => bound%species) - TYPE IS(speciesCharged) - newIon%qm = spe%qm - - END SELECT - newElectron%weight = bound%species%weight newIon%weight = newElectron%weight diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 01571c6..47cace6 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -78,6 +78,14 @@ MODULE moduleCollisions END TYPE interactionsBinary + !Type to count number of collisions + TYPE:: tallyCollisions + INTEGER, ALLOCATABLE:: tally(:) + + END TYPE + + !Number of collision pairs (nSpecies*(nSpecies+1)/2) + INTEGER:: nCollPairs = 0 !Collision 'Matrix'. A symmetric 2D matrix put into a 1D array to save memory TYPE(interactionsBinary), ALLOCATABLE, TARGET:: interactionMatrix(:) !Folder for collision cross section tables @@ -120,10 +128,9 @@ MODULE moduleCollisions IMPLICIT NONE TYPE(interactionsBinary), INTENT(inout), ALLOCATABLE:: interactionMatrix(:) - INTEGER:: nInteractions - nInteractions = (nSpecies*(nSpecies+1))/2 - ALLOCATE(interactionMatrix(1:nInteractions)) + nCollPairs = (nSpecies*(nSpecies+1))/2 + ALLOCATE(interactionMatrix(1:nCollPairs)) interactionMatrix(:)%amount = 0 interactionMatrix(:)%rMass = 0.D0 @@ -222,8 +229,7 @@ MODULE moduleCollisions TYPE(particle), INTENT(inout), TARGET:: part_i, part_j REAL(8), INTENT(in):: vRel REAL(8):: m_i, m_j - REAL(8), DIMENSION(1:3):: vCM - REAL(8):: vp(1:3) + REAL(8), DIMENSION(1:3):: vCM, vp m_i = part_i%species%m m_j = part_j%species%m @@ -232,13 +238,8 @@ MODULE moduleCollisions vp = vRel*randomDirectionVHS() !Assign velocities to particles - PRINT *, part_i%v part_i%v = vCM + m_j*vp / (m_i + m_j) - PRINT *, part_i%v - PRINT *, part_j%v part_j%v = vCM - m_i*vp / (m_i + m_j) - PRINT *, part_j%v - PRINT * END SUBROUTINE collideBinaryElastic @@ -273,16 +274,21 @@ MODULE moduleCollisions !Input energy is in eV. Convert to J with ev2J and then to !non-dimensional units. collision%eThreshold = energyThreshold*eV2J/(m_ref*v_ref**2) + !species for impacting electron electronIndex = speciesName2Index(electron) SELECT TYPE(sp => species(electronIndex)%obj) TYPE IS(speciesCharged) collision%electron => sp CLASS DEFAULT - CALL criticalError("Species " // sp%name // " chosen for ionization is not a charged species", 'initBinaryIonization') + CALL criticalError("Species " // sp%name // " chosen for " // & + "secondary electron is not a charged species", 'initBinaryIonization') END SELECT + !momentum change per ionization process + collision%deltaV = sqrt(collision%eThreshold / collision%electron%m) + END SELECT END SUBROUTINE initBinaryIonization @@ -302,8 +308,8 @@ MODULE moduleCollisions REAL(8), INTENT(in):: vRel REAL(8):: rMass, eRel TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() + REAL(8), DIMENSION(1:3):: vChange TYPE(particle), POINTER:: newElectron - REAL(8), DIMENSION(1:3):: vp_e, vp_n rMass = reducedMass(part_i%species%m, part_j%species%m) eRel = rMass*vRel**2 @@ -322,35 +328,35 @@ MODULE moduleCollisions END IF - !Exchange energy between - vp_e = electron%v*(1.D0 - self%deltaV/NORM2(electron%v)) - vp_n = neutral%v* (1.D0 + self%deltaV/NORM2(neutral%v) ) - - !Changes velocity of impacting electron - electron%v = vp_e - - !Creates a new electron from ionization - ALLOCATE(newElectron) - newElectron%species => electron%species - newElectron%v = vp_n - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%volColl = neutral%volColl - newElectron%weight = neutral%weight - newElectron%qm = electron%qm - !Ionize neutral particle SELECT TYPE(sp => neutral%species) TYPE IS(speciesNeutral) CALL sp%ionize(neutral) CLASS DEFAULT - CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + ! CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + RETURN END SELECT + !Exchange of velocity between particles + vChange = self%deltaV*randomDirectionVHS() + + !Energy is loss by the primary electron + electron%v = electron%v - vChange + + !Creates a new electron from ionization + ALLOCATE(newElectron) + newElectron%species => electron%species + !Secondary electorn gains energy from ionization + newElectron%v = vChange + newElectron%r = neutral%r + newElectron%xi = neutral%xi + newElectron%n_in = .TRUE. + newElectron%vol = neutral%vol + newElectron%volColl = neutral%volColl + newElectron%weight = neutral%weight + !Adds new electron to list of new particles from collisions CALL OMP_SET_LOCK(lockCollisions) CALL partCollisions%add(newElectron) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9bfb35f..26f5ce1 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -82,6 +82,7 @@ MODULE moduleInject INTEGER, INTENT(in):: i REAL(8), INTENT(in):: v, n(1:3), T(1:3) INTEGER, INTENT(in):: sp, physicalSurface + REAL(8):: tauInject REAL(8), INTENT(in):: flow CHARACTER(:), ALLOCATABLE, INTENT(in):: units INTEGER:: e, et @@ -93,18 +94,19 @@ MODULE moduleInject self%n = n / NORM2(n) self%T = T / T_ref self%species => species(sp)%obj + tauInject = tau(self%species%n) SELECT CASE(units) CASE ("sccm") !Standard cubic centimeter per minute - self%nParticles = INT(flow*sccm2atomPerS*tauMin*ti_ref/species(sp)%obj%weight) + self%nParticles = INT(flow*sccm2atomPerS*tauInject*ti_ref/species(sp)%obj%weight) CASE ("A") !Input current in Ampers - self%nParticles = INT(flow*tauMin*ti_ref/(qe*species(sp)%obj%weight)) + self%nParticles = INT(flow*tauInject*ti_ref/(qe*species(sp)%obj%weight)) CASE ("part/s") !Input current in Ampers - self%nParticles = INT(flow*tauMin*ti_ref/species(sp)%obj%weight) + self%nParticles = INT(flow*tauInject*ti_ref/species(sp)%obj%weight) CASE DEFAULT CALL criticalError("No support for units: " // units, 'initInject') @@ -161,8 +163,6 @@ MODULE moduleInject END DO self%sumWeight = self%cumWeight(self%nEdges) - nPartInj = nPartInj + self%nParticles - END SUBROUTINE initInject !Injection of particles @@ -174,12 +174,24 @@ MODULE moduleInject INTEGER:: i !$OMP SINGLE + nPartInj = 0 + DO i = 1, nInject + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + nPartInj = nPartInj + inject(i)%nParticles + + END IF + + END DO + IF (ALLOCATED(partInj)) DEALLOCATE(partInj) ALLOCATE(partInj(1:nPartInj)) !$OMP END SINGLE DO i=1, nInject - CALL inject(i)%addParticles() + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + CALL inject(i)%addParticles() + + END IF END DO END SUBROUTINE doInjects @@ -240,7 +252,7 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(in):: self INTEGER:: randomX INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array - INTEGER:: n + INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge !Insert particles @@ -251,12 +263,6 @@ MODULE moduleInject partInj(nMin:nMax)%weight = self%species%weight !Particle is considered to be outside the domain partInj(nMin:nMax)%n_in = .FALSE. - !Assign charge/mass to charged particle. - SELECT TYPE(sp => self%species) - TYPE IS(speciesCharged) - partInj(nMin:nMax)%qm = sp%qm - - END SELECT !$OMP END SINGLE !$OMP DO @@ -278,6 +284,7 @@ MODULE moduleInject END IF partInj(n)%volColl = randomEdge%eColl%n + sp = self%species%n !Assign particle type partInj(n)%species => self%species @@ -289,7 +296,7 @@ MODULE moduleInject !Obtain natural coordinates of particle in cell partInj(n)%xi = mesh%vols(partInj(n)%vol)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step - CALL solver%pusher(self%species%n)%pushParticle(partInj(n), tauMin) + CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) !Assign cell to new particle CALL solver%updateParticleCell(partInj(n)) diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 1e907ef..db9ea74 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -132,6 +132,15 @@ MODULE moduleInput CALL config%get(object // '.temperature', T_ref, found) IF (.NOT. found) CALL criticalError('Reference temperature not found','readReference') + !Derived parameters + L_ref = DSQRT(kb*T_ref*eps_0/n_ref)/qe !reference length + v_ref = DSQRT(kb*T_ref/m_ref) !reference velocity + ti_ref = L_ref/v_ref !reference time + Vol_ref = L_ref**3 !reference volume + EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field + Volt_ref = EF_ref*L_ref !reference voltage + B_ref = m_ref / (ti_ref * qe) !reference magnetic field + !If a reference cross section is given, it is used CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) @@ -147,15 +156,6 @@ MODULE moduleInput END IF END IF - - !Derived parameters - L_ref = DSQRT(kb*T_ref*eps_0/n_ref)/qe !reference length - v_ref = DSQRT(kb*T_ref/m_ref) !reference velocity - ti_ref = L_ref/v_ref !reference time - Vol_ref = L_ref**3 !reference volume - EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field - Volt_ref = EF_ref*L_ref !reference voltage - B_ref = m_ref / (ti_ref * qe) !reference magnetic field END SUBROUTINE readReference @@ -417,15 +417,6 @@ MODULE moduleInput END IF partNew%n_in = .TRUE. partNew%weight = species(sp)%obj%weight - !If charged species, add qm to particle - SELECT TYPE(sp => species(sp)%obj) - TYPE IS (speciesCharged) - partNew%qm = sp%qm - - CLASS DEFAULT - partNew%qm = 0.D0 - - END SELECT !Assign particle to temporal list of particles CALL partInitial%add(partNew) @@ -642,11 +633,13 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: crossSecFilePath CHARACTER(:), ALLOCATABLE:: cType LOGICAL:: found - INTEGER:: nInteractions, nCollisions + INTEGER:: nPairs, nCollisions INTEGER:: i, k, ij INTEGER:: pt_i, pt_j REAL(8):: energyThreshold, energyBinding CHARACTER(:), ALLOCATABLE:: electron + INTEGER:: e + CLASS(meshVol), POINTER:: vol !Firstly, checks if the object 'interactions' exists CALL config%info('interactions', found) @@ -681,8 +674,8 @@ MODULE moduleInput !Inits lock for list of particles CALL OMP_INIT_LOCK(lockCollisions) - CALL config%info('interactions.collisions', found, n_children = nInteractions) - DO i = 1, nInteractions + CALL config%info('interactions.collisions', found, n_children = nPairs) + DO i = 1, nPairs WRITE(iString, '(I2)') i object = 'interactions.collisions(' // TRIM(iString) // ')' CALL config%get(object // '.species_i', species_i, found) @@ -691,6 +684,7 @@ MODULE moduleInput pt_j = speciesName2Index(species_j) CALL config%info(object // '.cTypes', found, n_children = nCollisions) ij = interactionIndex(pt_i,pt_j) + !Allocates the required number of collisions per each pair of species ij CALL interactionMatrix(ij)%init(nCollisions, pt_i, pt_j) @@ -732,7 +726,7 @@ MODULE moduleInput crossSecFilePath, energyBinding, electron) CASE DEFAULT - CALL criticalError('Collision type' // cType // 'not defined yet', 'readInteractions') + CALL criticalError('Collision type' // cType // 'not defined', 'readInteractions') END SELECT @@ -740,6 +734,26 @@ MODULE moduleInput END DO + !Init the required arrays in each volume to account for MCC. + DO e = 1, meshForMCC%numVols + vol => meshForMCC%vols(e)%obj + + !Allocate Maximum cross section per collision pair and assign the initial collision rate + ALLOCATE(vol%sigmaVrelMax(1:nCollPairs)) + vol%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) + + IF (collOutput) THEN + ALLOCATE(vol%tallyColl(1:nCollPairs)) + DO k = 1, nCollPairs + ALLOCATE(vol%tallyColl(k)%tally(1:interactionmatrix(k)%amount)) + vol%tallyColl(k)%tally = 0 + + END DO + + END IF + + END DO + END IF END IF diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index f038ee7..017a321 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -165,7 +165,7 @@ MODULE moduleSolver INTEGER:: sp !$OMP DO - DO n=1, nPartOld + DO n = 1, nPartOld !Select species type sp = partOld(n)%species%n !Checks if the species sp is update this iteration @@ -204,7 +204,7 @@ MODULE moduleSolver REAL(8):: qmEFt(1:3) !Get the electric field at particle position - qmEFt = part%qm*gatherElecField(part)*tauIn + qmEFt = part%species%qm*gatherElecField(part)*tauIn !Update velocity part%v = part%v + qmEFt @@ -230,7 +230,7 @@ MODULE moduleSolver tauInHalf = tauIn *0.5D0 !Half of the force o f the electric field - qmEFt = part%qm*gatherElecField(part)*tauInHalf + qmEFt = part%species%qm*gatherElecField(part)*tauInHalf !Half step for electrostatic v_minus = part%v + qmEFt @@ -239,7 +239,7 @@ MODULE moduleSolver B = gatherMagnField(part) BNorm = NORM2(B) IF (BNorm > 0.D0) THEN - fn = DTAN(part%qm * tauInHalf*BNorm) / Bnorm + fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm v_prime = v_minus + fn * crossProduct(v_minus, B) v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) @@ -305,7 +305,7 @@ MODULE moduleSolver part_temp = part !Get electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauIn + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauIn !z part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn @@ -381,7 +381,7 @@ MODULE moduleSolver part_temp = part !Get electric field at particle position - qmEFt = part_temp%qm*gatherElecField(part_temp)*tauMin + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauMin !r,theta v_p_oh_star(1) = part%v(1) + qmEFt(1) x_new = part%r(1) + v_p_oh_star(1)*tauIn @@ -586,7 +586,7 @@ MODULE moduleSolver !Loops over the particles to scatter them !$OMP DO - DO n=1, nPartOld + DO n = 1, nPartOld CALL mesh%vols(partOld(n)%vol)%obj%scatter(partOld(n)) END DO diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index fd8494f..d19ff28 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -6,7 +6,7 @@ MODULE moduleSpecies TYPE, ABSTRACT:: speciesGeneric CHARACTER(:), ALLOCATABLE:: name - REAL(8):: m=0.D0, weight=0.D0 + REAL(8):: m=0.D0, weight=0.D0, qm=0.D0 INTEGER:: n=0 END TYPE speciesGeneric @@ -18,7 +18,7 @@ MODULE moduleSpecies END TYPE speciesNeutral TYPE, EXTENDS(speciesGeneric):: speciesCharged - REAL(8):: q=0.D0, qm=0.D0 + REAL(8):: q=0.D0 CLASS(speciesGeneric), POINTER:: ion => NULL(), neutral => NULL() CONTAINS PROCEDURE, PASS:: ionize => ionizeCharged @@ -43,7 +43,6 @@ MODULE moduleSpecies REAL(8):: xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain REAL(8):: weight=0.D0 !weight of particle - REAL(8):: qm = 0.D0 !charge over mass END TYPE particle From 50705292a78c168231becd6e1608802f2313a95d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 8 Dec 2022 16:37:44 +0100 Subject: [PATCH 049/203] Changes in Cross Sections Changes in cross-sections for Ar, particularly e-Ar process. --- data/collisions/EL_e-Ar.dat | 207 ++++++++++++++++++++++++- data/collisions/IO_e-Ar.dat | 235 +++++++++++++++++++++++++---- runs/1D_Cathode/curve_potential.gp | 22 --- 3 files changed, 406 insertions(+), 58 deletions(-) delete mode 100644 runs/1D_Cathode/curve_potential.gp diff --git a/data/collisions/EL_e-Ar.dat b/data/collisions/EL_e-Ar.dat index 097729e..b3d98a1 100644 --- a/data/collisions/EL_e-Ar.dat +++ b/data/collisions/EL_e-Ar.dat @@ -1,3 +1,204 @@ -# Relative energy (eV) cross section (m^2) -0.0 1e-20 -1000.0 1e-20 +# EL cross sections extracted from PROGRAM MAGBOLTZ, VERSION 7.1 JUNE 2004 www.lxcat.net/Biagi-v7.1 +# Relative energy (eV) cross section (m^2) + 0.000000e+0 7.100000e-20 + 1.000000e-3 6.298400e-20 + 2.000000e-3 5.835000e-20 + 5.000000e-3 4.977500e-20 + 1.000000e-2 4.113000e-20 + 2.000000e-2 3.071300e-20 + 5.000000e-2 1.570900e-20 + 1.000000e-1 6.062200e-21 + 1.092000e-1 5.117000e-21 + 1.482000e-1 2.519100e-21 + 1.885000e-1 1.330700e-21 + 2.303000e-1 9.762900e-22 + 2.735000e-1 1.139000e-21 + 3.183000e-1 1.628900e-21 + 3.646000e-1 2.326700e-21 + 4.125000e-1 3.155200e-21 + 4.622000e-1 4.064500e-21 + 5.136000e-1 5.023100e-21 + 5.668000e-1 6.012300e-21 + 6.218000e-1 7.023300e-21 + 6.788000e-1 8.054600e-21 + 7.378000e-1 9.110500e-21 + 7.989000e-1 1.020000e-20 + 8.621000e-1 1.133700e-20 + 9.275000e-1 1.253700e-20 + 9.953000e-1 1.382100e-20 + 1.065400e+0 1.479100e-20 + 1.138000e+0 1.576700e-20 + 1.213100e+0 1.677000e-20 + 1.290900e+0 1.778100e-20 + 1.371400e+0 1.882800e-20 + 1.454700e+0 1.991100e-20 + 1.541000e+0 2.107400e-20 + 1.630300e+0 2.232400e-20 + 1.722700e+0 2.358000e-20 + 1.818400e+0 2.476000e-20 + 1.917400e+0 2.598200e-20 + 2.020000e+0 2.729100e-20 + 2.126100e+0 2.884100e-20 + 2.235900e+0 3.044500e-20 + 2.349700e+0 3.210500e-20 + 2.467400e+0 3.382400e-20 + 2.589200e+0 3.558500e-20 + 2.715400e+0 3.740100e-20 + 2.845900e+0 3.928100e-20 + 2.981100e+0 4.122700e-20 + 3.121000e+0 4.331500e-20 + 3.265800e+0 4.548700e-20 + 3.415700e+0 4.773600e-20 + 3.570900e+0 5.006300e-20 + 3.731500e+0 5.247300e-20 + 3.897800e+0 5.496700e-20 + 4.069900e+0 5.775100e-20 + 4.248100e+0 6.093800e-20 + 4.432500e+0 6.423700e-20 + 4.623400e+0 6.765200e-20 + 4.821000e+0 7.118700e-20 + 5.025600e+0 7.507600e-20 + 5.237300e+0 7.901500e-20 + 5.456500e+0 8.309200e-20 + 5.683400e+0 8.731200e-20 + 5.918300e+0 9.168100e-20 + 6.161400e+0 9.628400e-20 + 6.413100e+0 1.010900e-19 + 6.673600e+0 1.060800e-19 + 6.943300e+0 1.118000e-19 + 7.222400e+0 1.170000e-19 + 7.511400e+0 1.222000e-19 + 7.810500e+0 1.275900e-19 + 8.120100e+0 1.326900e-19 + 8.440600e+0 1.372100e-19 + 8.772400e+0 1.416500e-19 + 9.115800e+0 1.451600e-19 + 9.471300e+0 1.487100e-19 + 9.839300e+0 1.523900e-19 + 1.022020e+1 1.548800e-19 + 1.061450e+1 1.564600e-19 + 1.100000e+1 1.580000e-19 + 1.160000e+1 1.580000e-19 + 1.220000e+1 1.571000e-19 + 1.280380e+1 1.547800e-19 + 1.328890e+1 1.525600e-19 + 1.379110e+1 1.495700e-19 + 1.431090e+1 1.458200e-19 + 1.484890e+1 1.420600e-19 + 1.540590e+1 1.373500e-19 + 1.598240e+1 1.321600e-19 + 1.657920e+1 1.291500e-19 + 1.719700e+1 1.225700e-19 + 1.783650e+1 1.157400e-19 + 1.849840e+1 1.110100e-19 + 1.918370e+1 1.069000e-19 + 1.989300e+1 1.026400e-19 + 2.062720e+1 9.899000e-20 + 2.138720e+1 9.534100e-20 + 2.217390e+1 9.156500e-20 + 2.298830e+1 8.765600e-20 + 2.383130e+1 8.361000e-20 + 2.470400e+1 7.942100e-20 + 2.560730e+1 7.611800e-20 + 2.654230e+1 7.321900e-20 + 2.751020e+1 7.021800e-20 + 2.851210e+1 6.711300e-20 + 2.954920e+1 6.389700e-20 + 3.062280e+1 6.137900e-20 + 3.173410e+1 5.937900e-20 + 3.288440e+1 5.730800e-20 + 3.407520e+1 5.516500e-20 + 3.530780e+1 5.294600e-20 + 3.658370e+1 5.064900e-20 + 3.790450e+1 4.827200e-20 + 3.927170e+1 4.581100e-20 + 4.068690e+1 4.384700e-20 + 4.215190e+1 4.245600e-20 + 4.366840e+1 4.101500e-20 + 4.523810e+1 3.952400e-20 + 4.686300e+1 3.798000e-20 + 4.854500e+1 3.638200e-20 + 5.028610e+1 3.480000e-20 + 5.208840e+1 3.353800e-20 + 5.395410e+1 3.223200e-20 + 5.588530e+1 3.088000e-20 + 5.788440e+1 2.948100e-20 + 5.995370e+1 2.803200e-20 + 6.209570e+1 2.674300e-20 + 6.431310e+1 2.541200e-20 + 6.660830e+1 2.403500e-20 + 6.898420e+1 2.260900e-20 + 7.144360e+1 2.171100e-20 + 7.398940e+1 2.120200e-20 + 7.662470e+1 2.067500e-20 + 7.935260e+1 2.012900e-20 + 8.217640e+1 1.940100e-20 + 8.509940e+1 1.859800e-20 + 8.812510e+1 1.776600e-20 + 9.125710e+1 1.690400e-20 + 9.449930e+1 1.601300e-20 + 9.785530e+1 1.509000e-20 + 1.013293e+2 1.435400e-20 + 1.049254e+2 1.395800e-20 + 1.086478e+2 1.354900e-20 + 1.125011e+2 1.312500e-20 + 1.164898e+2 1.268600e-20 + 1.206186e+2 1.223200e-20 + 1.248925e+2 1.176200e-20 + 1.293167e+2 1.127500e-20 + 1.338963e+2 1.077100e-20 + 1.386368e+2 1.025000e-20 + 1.435440e+2 9.710200e-21 + 1.486236e+2 9.151400e-21 + 1.538817e+2 8.790400e-21 + 1.593245e+2 8.496500e-21 + 1.649587e+2 8.192200e-21 + 1.707908e+2 7.877300e-21 + 1.768279e+2 7.551300e-21 + 1.830772e+2 7.213800e-21 + 1.895461e+2 6.864500e-21 + 1.962423e+2 6.502900e-21 + 2.031738e+2 6.244500e-21 + 2.103489e+2 6.118900e-21 + 2.177762e+2 5.988900e-21 + 2.254644e+2 5.854400e-21 + 2.334229e+2 5.715100e-21 + 2.416610e+2 5.570900e-21 + 2.501886e+2 5.421700e-21 + 2.590160e+2 5.267200e-21 + 2.681535e+2 5.107300e-21 + 2.776121e+2 4.941800e-21 + 2.874032e+2 4.770400e-21 + 2.975383e+2 4.593100e-21 + 3.080295e+2 4.409500e-21 + 3.188895e+2 4.219400e-21 + 3.301311e+2 4.022700e-21 + 3.417678e+2 3.819100e-21 + 3.538134e+2 3.608300e-21 + 3.662823e+2 3.390100e-21 + 3.791894e+2 3.164200e-21 + 3.925501e+2 2.930400e-21 + 4.063803e+2 2.789400e-21 + 4.355158e+2 2.740800e-21 + 4.667351e+2 2.688800e-21 + 4.831724e+2 2.661400e-21 + 5.001872e+2 2.633000e-21 + 5.178000e+2 2.603700e-21 + 5.360318e+2 2.573300e-21 + 5.549043e+2 2.541800e-21 + 5.744399e+2 2.509300e-21 + 5.946621e+2 2.475600e-21 + 6.155950e+2 2.440700e-21 + 6.372635e+2 2.404600e-21 + 6.596934e+2 2.367200e-21 + 6.829116e+2 2.328500e-21 + 7.069458e+2 2.288400e-21 + 7.318245e+2 2.247000e-21 + 7.575776e+2 2.204000e-21 + 7.842356e+2 2.159600e-21 + 8.118305e+2 2.113600e-21 + 8.403951e+2 2.066000e-21 + 8.699636e+2 2.016700e-21 + 9.005711e+2 1.965700e-21 + 9.322543e+2 1.912900e-21 + 9.650509e+2 1.858200e-21 diff --git a/data/collisions/IO_e-Ar.dat b/data/collisions/IO_e-Ar.dat index 4d2e032..ce3955f 100644 --- a/data/collisions/IO_e-Ar.dat +++ b/data/collisions/IO_e-Ar.dat @@ -1,34 +1,203 @@ -# H. C. Straub et. al, Physical Review A, 55,2(1995) +# EL cross sections extracted from PROGRAM MAGBOLTZ, VERSION 7.1 JUNE 2004 www.lxcat.net/Biagi-v7.1 # Relative energy (eV) cross section (m^2) -17 1.700E-22 -20 4.600E-21 -25 1.240E-20 -30 1.840E-20 -35 2.260E-20 -40 2.550E-20 -45 2.660E-20 -50 2.700E-20 -55 2.690E-20 -60 2.670E-20 -65 2.670E-20 -70 2.670E-20 -75 2.660E-20 -80 2.690E-20 -85 2.700E-20 -90 2.690E-20 -95 2.670E-20 -100 2.640E-20 -110 2.610E-20 -120 2.550E-20 -140 2.450E-20 -160 2.350E-20 -180 2.270E-20 -200 2.180E-20 -225 2.100E-20 -250 1.990E-20 -275 1.870E-20 -300 1.790E-20 -350 1.630E-20 -400 1.510E-20 -450 1.390E-20 -500 1.310E-20 + 1.570000e+1 0.000000e+0 + 1.571000e+1 1.033000e-25 + 1.574000e+1 3.631000e-23 + 1.577000e+1 7.390000e-23 + 1.581000e+1 1.128000e-22 + 1.585000e+1 1.531000e-22 + 1.589000e+1 1.948000e-22 + 1.593000e+1 2.379000e-22 + 1.597000e+1 2.826000e-22 + 1.602000e+1 3.330000e-22 + 1.606000e+1 3.914000e-22 + 1.611000e+1 4.518000e-22 + 1.616000e+1 5.143000e-22 + 1.621000e+1 5.791000e-22 + 1.627000e+1 6.461000e-22 + 1.632000e+1 7.155000e-22 + 1.638000e+1 7.873000e-22 + 1.644000e+1 8.616000e-22 + 1.650000e+1 9.386000e-22 + 1.656000e+1 1.026000e-21 + 1.663000e+1 1.116000e-21 + 1.670000e+1 1.209000e-21 + 1.677000e+1 1.306000e-21 + 1.684000e+1 1.406000e-21 + 1.691000e+1 1.510000e-21 + 1.699000e+1 1.617000e-21 + 1.707000e+1 1.733000e-21 + 1.715000e+1 1.853000e-21 + 1.724000e+1 1.977000e-21 + 1.733000e+1 2.106000e-21 + 1.742000e+1 2.239000e-21 + 1.752000e+1 2.378000e-21 + 1.762000e+1 2.526000e-21 + 1.772000e+1 2.680000e-21 + 1.783000e+1 2.839000e-21 + 1.794000e+1 3.004000e-21 + 1.805000e+1 3.175000e-21 + 1.817000e+1 3.354000e-21 + 1.829000e+1 3.540000e-21 + 1.842000e+1 3.731000e-21 + 1.855000e+1 3.933000e-21 + 1.868000e+1 4.146000e-21 + 1.882000e+1 4.367000e-21 + 1.897000e+1 4.596000e-21 + 1.912000e+1 4.837000e-21 + 1.927000e+1 5.089000e-21 + 1.943000e+1 5.349000e-21 + 1.960000e+1 5.618000e-21 + 1.977000e+1 5.897000e-21 + 1.995000e+1 6.186000e-21 + 2.013000e+1 6.498000e-21 + 2.032000e+1 6.826000e-21 + 2.052000e+1 7.161000e-21 + 2.073000e+1 7.464000e-21 + 2.094000e+1 7.777000e-21 + 2.116000e+1 8.092000e-21 + 2.138000e+1 8.414000e-21 + 2.162000e+1 8.757000e-21 + 2.186000e+1 9.122000e-21 + 2.211000e+1 9.468000e-21 + 2.237000e+1 9.786000e-21 + 2.264000e+1 1.013000e-20 + 2.292000e+1 1.050000e-20 + 2.321000e+1 1.085000e-20 + 2.351000e+1 1.121000e-20 + 2.382000e+1 1.158000e-20 + 2.414000e+1 1.197000e-20 + 2.447000e+1 1.237000e-20 + 2.482000e+1 1.278000e-20 + 2.517000e+1 1.317000e-20 + 2.554000e+1 1.355000e-20 + 2.592000e+1 1.400000e-20 + 2.631000e+1 1.440000e-20 + 2.672000e+1 1.479000e-20 + 2.715000e+1 1.519000e-20 + 2.758000e+1 1.560000e-20 + 2.804000e+1 1.604000e-20 + 2.850000e+1 1.650000e-20 + 2.899000e+1 1.699000e-20 + 2.949000e+1 1.749000e-20 + 3.001000e+1 1.801000e-20 + 3.055000e+1 1.844000e-20 + 3.111000e+1 1.888000e-20 + 3.168000e+1 1.935000e-20 + 3.228000e+1 1.981000e-20 + 3.290000e+1 2.027000e-20 + 3.354000e+1 2.075000e-20 + 3.420000e+1 2.123000e-20 + 3.488000e+1 2.167000e-20 + 3.559000e+1 2.214000e-20 + 3.633000e+1 2.255000e-20 + 3.709000e+1 2.289000e-20 + 3.787000e+1 2.324000e-20 + 3.869000e+1 2.351000e-20 + 3.953000e+1 2.376000e-20 + 4.040000e+1 2.398000e-20 + 4.131000e+1 2.416000e-20 + 4.224000e+1 2.435000e-20 + 4.321000e+1 2.454000e-20 + 4.421000e+1 2.474000e-20 + 4.525000e+1 2.492000e-20 + 4.632000e+1 2.501000e-20 + 4.743000e+1 2.509000e-20 + 4.858000e+1 2.519000e-20 + 4.978000e+1 2.528000e-20 + 5.101000e+1 2.544000e-20 + 5.228000e+1 2.562000e-20 + 5.360000e+1 2.580000e-20 + 5.497000e+1 2.600000e-20 + 5.639000e+1 2.617000e-20 + 5.785000e+1 2.634000e-20 + 5.937000e+1 2.652000e-20 + 6.094000e+1 2.673000e-20 + 6.256000e+1 2.696000e-20 + 6.425000e+1 2.719000e-20 + 6.599000e+1 2.738000e-20 + 6.779000e+1 2.752000e-20 + 6.965000e+1 2.767000e-20 + 7.159000e+1 2.786000e-20 + 7.358000e+1 2.806000e-20 + 7.565000e+1 2.823000e-20 + 7.780000e+1 2.831000e-20 + 8.001000e+1 2.840000e-20 + 8.231000e+1 2.845000e-20 + 8.468000e+1 2.849000e-20 + 8.714000e+1 2.854000e-20 + 8.969000e+1 2.859000e-20 + 9.232000e+1 2.860000e-20 + 9.505000e+1 2.860000e-20 + 9.788000e+1 2.854000e-20 + 1.008000e+2 2.848000e-20 + 1.038000e+2 2.842000e-20 + 1.070000e+2 2.836000e-20 + 1.102000e+2 2.830000e-20 + 1.136000e+2 2.823000e-20 + 1.170000e+2 2.816000e-20 + 1.206000e+2 2.807000e-20 + 1.243000e+2 2.788000e-20 + 1.282000e+2 2.769000e-20 + 1.322000e+2 2.753000e-20 + 1.363000e+2 2.741000e-20 + 1.406000e+2 2.727000e-20 + 1.450000e+2 2.705000e-20 + 1.496000e+2 2.682000e-20 + 1.543000e+2 2.654000e-20 + 1.592000e+2 2.625000e-20 + 1.643000e+2 2.598000e-20 + 1.696000e+2 2.572000e-20 + 1.750000e+2 2.545000e-20 + 1.807000e+2 2.516000e-20 + 1.865000e+2 2.478000e-20 + 1.925000e+2 2.439000e-20 + 1.988000e+2 2.398000e-20 + 2.052000e+2 2.367000e-20 + 2.119000e+2 2.337000e-20 + 2.189000e+2 2.307000e-20 + 2.260000e+2 2.275000e-20 + 2.335000e+2 2.243000e-20 + 2.412000e+2 2.209000e-20 + 2.491000e+2 2.174000e-20 + 2.574000e+2 2.142000e-20 + 2.659000e+2 2.110000e-20 + 2.747000e+2 2.076000e-20 + 2.839000e+2 2.041000e-20 + 2.933000e+2 2.005000e-20 + 3.031000e+2 1.969000e-20 + 3.132000e+2 1.935000e-20 + 3.237000e+2 1.899000e-20 + 3.346000e+2 1.862000e-20 + 3.458000e+2 1.824000e-20 + 3.575000e+2 1.791000e-20 + 3.695000e+2 1.759000e-20 + 3.820000e+2 1.727000e-20 + 3.949000e+2 1.693000e-20 + 4.083000e+2 1.659000e-20 + 4.221000e+2 1.623000e-20 + 4.364000e+2 1.585000e-20 + 4.512000e+2 1.548000e-20 + 4.666000e+2 1.520000e-20 + 4.824000e+2 1.492000e-20 + 4.989000e+2 1.462000e-20 + 5.159000e+2 1.435000e-20 + 5.335000e+2 1.406000e-20 + 5.517000e+2 1.377000e-20 + 5.706000e+2 1.347000e-20 + 5.901000e+2 1.316000e-20 + 6.104000e+2 1.285000e-20 + 6.313000e+2 1.256000e-20 + 6.530000e+2 1.226000e-20 + 6.754000e+2 1.194000e-20 + 6.986000e+2 1.162000e-20 + 7.226000e+2 1.137000e-20 + 7.475000e+2 1.112000e-20 + 7.733000e+2 1.087000e-20 + 7.999000e+2 1.060000e-20 + 8.275000e+2 1.039000e-20 + 8.561000e+2 1.018000e-20 + 8.857000e+2 9.958000e-21 + 9.163000e+2 9.736000e-21 + 9.480000e+2 9.514000e-21 + 9.808000e+2 9.285000e-21 diff --git a/runs/1D_Cathode/curve_potential.gp b/runs/1D_Cathode/curve_potential.gp deleted file mode 100644 index 9db840c..0000000 --- a/runs/1D_Cathode/curve_potential.gp +++ /dev/null @@ -1,22 +0,0 @@ -#Export the potential curves from Gmsh into a txt file. -reset -set terminal qt persist enhanced 1 size 600, 400 - -set style line 1 pt 1 lc rgb "red" -set style line 2 pt 2 lc rgb "blue" -set style line 3 pt 4 lc rgb "#006400" -set style line 4 pt 6 lc rgb "orange" -set style line 5 pt 8 lc rgb "black" -set style line 6 pt 10 lc rgb "#ADD8E6" - -set xlabel "x/r (mm)" - -set autoscale y -set ylabel "Potential (V)" - -set key box at 90,-10 - -set title "Effect of geometry" - -plot "Cartesian.dat" u ($5*1e3):($8) every 100 ls 1 t "Cartesian", \ - "Radial.dat" u ($5*1e3):($8) every 100 ls 2 t "Radial" From ae8aa9075eefa7ebc01b9cbeb116b257fc2805c3 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 9 Dec 2022 09:54:44 +0100 Subject: [PATCH 050/203] Change in calculation of reduced mass and relative energy Now reduced mass and relative energy are calculated on the fly per collision. --- src/modules/mesh/moduleMesh.f90 | 6 ++++-- src/modules/moduleCollisions.f90 | 8 ++------ 2 files changed, 6 insertions(+), 8 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 142b78d..ebbbed4 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -660,6 +660,7 @@ MODULE moduleMesh use moduleRefParam USE moduleRandom USE moduleOutput + USE moduleMath IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self @@ -673,7 +674,7 @@ MODULE moduleMesh TYPE(pointerArray), ALLOCATABLE:: partTemp_i(:), partTemp_j(:) TYPE(particle), POINTER:: part_i, part_j INTEGER:: n, c - REAL(8):: vRel, eRel + REAL(8):: vRel, rMass, eRel REAL(8):: sigmaVrelTotal REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) REAL(8):: rnd !Random number for collision @@ -749,7 +750,8 @@ MODULE moduleMesh !Obtain the cross sections for the different processes !TODO: From here it might be a procedure in interactionMatrix vRel = NORM2(part_i%v-part_j%v) - eRel = interactionMatrix(k)%rMass*vRel**2 + rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m) + eRel = rMass*vRel**2 CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) !Update maximum sigma*v_rel diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 47cace6..3c241c1 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -70,7 +70,6 @@ MODULE moduleCollisions CLASS(speciesGeneric), POINTER:: sp_i CLASS(speciesGeneric), POINTER:: sp_j INTEGER:: amount - REAL(8):: rMass !Reduced mass TYPE(collisionCont), ALLOCATABLE:: collisions(:) CONTAINS PROCEDURE, PASS:: init => initInteractionBinary @@ -133,7 +132,6 @@ MODULE moduleCollisions ALLOCATE(interactionMatrix(1:nCollPairs)) interactionMatrix(:)%amount = 0 - interactionMatrix(:)%rMass = 0.D0 END SUBROUTINE initInteractionMatrix @@ -169,8 +167,6 @@ MODULE moduleCollisions mass_i = species(i)%obj%m mass_j = species(j)%obj%m - self%rMass = reducedMass(mass_i, mass_j) - ALLOCATE(self%collisions(1:self%amount)) END SUBROUTINE initInteractionBinary @@ -234,7 +230,7 @@ MODULE moduleCollisions m_i = part_i%species%m m_j = part_j%species%m !Applies the collision - vCM = velocityCM(m_i, part_i%v, m_j, part_j%v) + vCM = velocityCM(part_i%weight*m_i, part_i%v, part_j%weight*m_j, part_j%v) vp = vRel*randomDirectionVHS() !Assign velocities to particles @@ -311,7 +307,7 @@ MODULE moduleCollisions REAL(8), DIMENSION(1:3):: vChange TYPE(particle), POINTER:: newElectron - rMass = reducedMass(part_i%species%m, part_j%species%m) + rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m) eRel = rMass*vRel**2 !Relative energy must be higher than threshold IF (eRel > self%eThreshold) THEN From 8dd3023bc06a498f146b7cf37c20506134f913db Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 9 Dec 2022 16:05:32 +0100 Subject: [PATCH 051/203] Documentation change and testing examples Documentation adapted to the new way to define geometry and pushers. Examples are currently being tested and small modifications are being done to include a reference output. --- doc/user-manual/fpakc_UserManual.pdf | Bin 173252 -> 175069 bytes doc/user-manual/fpakc_UserManual.tex | 70 +- runs/0D_Argon/README.txt | 11 + runs/0D_Argon/input.json | 4 +- runs/0D_Argon/output/OUTPUT_Argon+.dat | 1002 +++++++++++++++++ runs/0D_Argon/output/OUTPUT_Argon.dat | 1002 +++++++++++++++++ runs/0D_Argon/output/OUTPUT_Collisions.dat | 1002 +++++++++++++++++ ...rve_Temperature.gp => plot_Temperature.gp} | 7 +- runs/1D_Cathode/README.txt | 8 + runs/1D_Cathode/inputCart.json | 17 +- runs/1D_Cathode/inputRadEmission.json | 15 +- src/modules/moduleInput.f90 | 1 - 12 files changed, 3075 insertions(+), 64 deletions(-) create mode 100644 runs/0D_Argon/README.txt create mode 100644 runs/0D_Argon/output/OUTPUT_Argon+.dat create mode 100644 runs/0D_Argon/output/OUTPUT_Argon.dat create mode 100644 runs/0D_Argon/output/OUTPUT_Collisions.dat rename 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The accepted parameters are: \begin{itemize} - \item \textbf{type}: Character. + \item \textbf{dimension}: Integer. + Number of spatial dimensions of the geometry. + Current values are: $0$, $1$, $2$ or $3$. + Zero dimension is a fictitious volume. + Geometry used mostly to test collisional effects. + No boundary or EM field is solved. + No injection can be implemented. + Initial state must be read from file. + No mesh file is required. + The optional argument \textbf{geometry.volume} can be used to set a value for the fictitious volume. + Otherwise, the volume is set to 1 in non-dimensional units. + \item \textbf{type}: Character. Type of geometry. Current accepted vaules are \begin{itemize} - \item \textbf{3DCart}: Three-dimensional grid ($x \hyphen y \hyphen z$) in Cartesian coordinates.. - For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. - \item \textbf{2DCyl}: Two-dimensional grid ($z \hyphen r$) with symmetry axis at $r = 0$. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. - \item \textbf{2DCart}: Two-dimensional grid ($x \hyphen y$) in Cartesian coordinates.. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $x$ and $y$ respectively. - \item \textbf{1DRad}: One-dimensional grid ($r$) in radial coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. - \item \textbf{1DCart}: One-dimensional grid ($x$) in Cartesian coordinates - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $x$. - \item \textbf{0D}: Zero dimension ficticius volume. - Geometry used mostly to test collisional effects. - No boundary or EM field is solved. - No injection can be implemented. - Initial state must be read from file. - No mesh file is required. - The optional argument \textbf{geometry.volume} can be used to set a ficticius volume. - Otherwise, the volume is set to 1 in non-dimensional units. + \item \textbf{Cart}: Cartesian coordinates. + Available for \textbf{geometry.dimension} $1$, $2$ and $3$. + For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. + \item \textbf{Cyl}: Cylindrical coordinates ($z \hyphen r$) with symmetry axis at $r = 0$. + Only available for \textbf{geometry.dimension} $2$. + For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. + \item \textbf{Rad}: One-dimensional radial space ($r$). + Only available for \textbf{geometry.dimension} $1$. + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. @@ -437,9 +439,9 @@ make \item \textbf{meshFile}: Character. Mesh filename. This file is searched in the path \textbf{output.path} and must contain the file extension. - \item \textbf{volume}: Real + \item \textbf{volume}: Real. Units of $\unit{m^-3}$. - Used to set a ficticius volume for the \textbf{0D} geometry. + Used to set a fictitious volume for the $0$ dimension. Ignored in the other cases. \end{itemize} @@ -624,11 +626,12 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% - \subsection{case} - This object determines the simulation time, time step, pushers, weighting scheme and solver for the electromagnetic field. + \subsection{solver} + This object determines the input parameters for the solvers used in the case, both for particle pushers and electromagnetic field. Accepted variables are: \begin{itemize} \item \textbf{tau}: Real. + Units of $\unit{s}$. Array dimension 'number of species'. Defines the different time steps for each species. Even if all time steps are equal, they need to be defined as an array. @@ -643,18 +646,9 @@ make Array dimension 'number of species'. Indicates the type of pusher used for each species: \begin{itemize} - \item \textbf{3DCartNeutral}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) without any external force. - \item \textbf{3DCartCharged}: Pushes particles in a 3D Cartesian space ($x \hyphen y \hyphen z$) including the effect of the electrostatic field. - \item \textbf{2DCylNeutral}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) without any external force. - \item \textbf{2DCylCharged}: Pushes particles in a 2D cylindrical space ($z \hyphen r$) including the effect of the electrostatic field. - \item \textbf{2DCartNeutral}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) without any external force. - \item \textbf{2DCartCharged}: Pushes particles in a 2D Cartesian space ($x \hyphen y$) including the effect of the electrostatic field. - \item \textbf{1DRadNeutral}: Pushes particles in a 1D cylindrical space ($r$) without any external force. - \item \textbf{1DRadCharged}: Pushes particles in a 1D cylindrical space ($r$) accounting the the electrostatic field. - \item \textbf{1DCartNeutral}: Pushes particles in a 1D Cartesian space ($x$) without any external force. - \item \textbf{1DCartCharged}: Pushes particles in a 1D Cartesian space ($x$) accounting the the electrostatic field. - \item \textbf{0D}: Dummy pusher for 0D geometry. - No pushing is actually done. + \item \textbf{Neutral}: Pushes a particle without any external force. + \item \textbf{Electrostatic}: Pushes a particle including the effect of the electrostatic field. + \item \textbf{Electromagnetic}: Pushes particles accounting for the electromagnetic field. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. @@ -669,7 +663,13 @@ make If no value is supplied, no field is solved. \begin{itemize} \item \textbf{Electrostatic}: Solves the Poison equation to obtain the self-consistent electrostatic potential. + \item \textbf{ConstantB}: Assumes a constant magnetic field in all the domain. + It solves the Poisson equation as in the \textbf{solver.EMSolver} option. \end{itemize} + \item \textbf{B}: Real. + Units of $\unit{T}$. + Array of dimension $3$. + Provides the value of constant magnetic field for the option \textbf{solver.EMSolver} \textbf{ConstantB}. \item \textbf{initial}: Array of objects. Determines initial values for the species. Required values are: diff --git a/runs/0D_Argon/README.txt b/runs/0D_Argon/README.txt new file mode 100644 index 0000000..f44ff5d --- /dev/null +++ b/runs/0D_Argon/README.txt @@ -0,0 +1,11 @@ +Example of 0D geometry. + +Mostly used to test collision processes. + +This example includes Ar and Ar+ with self-collisions for Ar and elastic collisions for AR-Ar+. + +Different starting temperatures for each species that end up in equilibrium. + +The gnuplpot script 'plot_Temperature.gp' generates a plot of the species temperatures. + +The result is provided in the output folder to compare if modifications to the code are made. diff --git a/runs/0D_Argon/input.json b/runs/0D_Argon/input.json index 6af25d0..5defe89 100644 --- a/runs/0D_Argon/input.json +++ b/runs/0D_Argon/input.json @@ -21,8 +21,8 @@ {"name": "Argon", "type": "neutral", "mass": 6.633e-26, "weight": 1.0e0} ], "solver": { - "tau": [1.0e-6, 1.0e-6], - "finalTime": 1.0e-3, + "tau": [1.0e-3, 1.0e-3], + "finalTime": 1.0e0, "initial": [ {"species": "Argon+", "file": "Argon+_Initial.dat"}, {"species": "Argon", "file": "Argon_Initial.dat"} diff --git a/runs/0D_Argon/output/OUTPUT_Argon+.dat b/runs/0D_Argon/output/OUTPUT_Argon+.dat new file mode 100644 index 0000000..d2ae64e --- /dev/null +++ b/runs/0D_Argon/output/OUTPUT_Argon+.dat @@ -0,0 +1,1002 @@ +# t (s) density (m^-3) velocity (m/s) pressure (Pa) temperature (K) + 0.000000E+000 1.000000E+016 5.266957E+000 1.909452E+000 1.384590E+000 4.135248E-004 2.995149E+003 + 1.000000E-003 1.000000E+016 4.975835E+000 1.800698E+000 1.604451E+000 4.105059E-004 2.973283E+003 + 2.000000E-003 1.000000E+016 4.341542E+000 1.924445E+000 2.184675E+000 4.003290E-004 2.899572E+003 + 3.000000E-003 1.000000E+016 3.970890E+000 1.993677E+000 1.382798E+000 3.897737E-004 2.823121E+003 + 4.000000E-003 1.000000E+016 3.762433E+000 2.833449E+000 1.546067E+000 3.804124E-004 2.755317E+003 + 5.000000E-003 1.000000E+016 2.930359E+000 3.054097E+000 1.205293E+000 3.708058E-004 2.685737E+003 + 6.000000E-003 1.000000E+016 2.393934E+000 2.814945E+000 1.629780E+000 3.622957E-004 2.624098E+003 + 7.000000E-003 1.000000E+016 2.822432E+000 2.456657E+000 2.214131E+000 3.542909E-004 2.566119E+003 + 8.000000E-003 1.000000E+016 2.115643E+000 2.257382E+000 2.015071E+000 3.466849E-004 2.511029E+003 + 9.000000E-003 1.000000E+016 2.027031E+000 2.037227E+000 8.288768E-001 3.395016E-004 2.459001E+003 + 1.000000E-002 1.000000E+016 1.575586E+000 2.532915E+000 5.752966E-001 3.328813E-004 2.411050E+003 + 1.100000E-002 1.000000E+016 1.555788E+000 2.640150E+000 5.876390E-001 3.267937E-004 2.366958E+003 + 1.200000E-002 1.000000E+016 1.222583E+000 2.661460E+000 3.327464E-001 3.210867E-004 2.325622E+003 + 1.300000E-002 1.000000E+016 1.775667E+000 2.816494E+000 -9.500641E-002 3.157455E-004 2.286936E+003 + 1.400000E-002 1.000000E+016 1.579764E+000 2.035823E+000 -2.580409E-001 3.106205E-004 2.249816E+003 + 1.500000E-002 1.000000E+016 1.065856E+000 2.113673E+000 -6.643543E-002 3.056658E-004 2.213929E+003 + 1.600000E-002 1.000000E+016 1.064635E+000 2.550815E+000 8.099883E-001 3.009810E-004 2.179997E+003 + 1.700000E-002 1.000000E+016 1.747380E+000 2.382810E+000 1.248267E+000 2.970422E-004 2.151468E+003 + 1.800000E-002 1.000000E+016 1.210405E+000 2.296428E+000 1.766787E+000 2.928880E-004 2.121380E+003 + 1.900000E-002 1.000000E+016 7.886984E-001 2.748794E+000 1.701718E+000 2.889478E-004 2.092841E+003 + 2.000000E-002 1.000000E+016 1.234212E+000 2.736398E+000 1.026164E+000 2.855333E-004 2.068110E+003 + 2.100000E-002 1.000000E+016 4.876977E-001 2.307383E+000 1.485919E+000 2.821512E-004 2.043614E+003 + 2.200000E-002 1.000000E+016 6.315432E-001 3.259035E+000 2.550234E+000 2.790234E-004 2.020959E+003 + 2.300000E-002 1.000000E+016 7.955458E-001 3.150075E+000 2.609453E+000 2.756880E-004 1.996801E+003 + 2.400000E-002 1.000000E+016 1.621784E+000 2.564408E+000 2.319978E+000 2.728333E-004 1.976124E+003 + 2.500000E-002 1.000000E+016 1.350103E+000 2.494458E+000 2.518110E+000 2.703353E-004 1.958031E+003 + 2.600000E-002 1.000000E+016 1.497970E+000 2.311190E+000 2.488266E+000 2.679330E-004 1.940632E+003 + 2.700000E-002 1.000000E+016 1.818953E+000 2.040567E+000 2.343169E+000 2.657337E-004 1.924702E+003 + 2.800000E-002 1.000000E+016 1.509943E+000 1.928996E+000 2.659309E+000 2.634649E-004 1.908269E+003 + 2.900000E-002 1.000000E+016 1.286887E+000 1.372977E+000 3.139634E+000 2.614001E-004 1.893314E+003 + 3.000000E-002 1.000000E+016 1.463800E+000 1.111522E+000 3.109452E+000 2.597354E-004 1.881256E+003 + 3.100000E-002 1.000000E+016 7.836157E-001 6.211630E-001 3.092961E+000 2.576216E-004 1.865947E+003 + 3.200000E-002 1.000000E+016 2.598003E-001 1.648104E-001 3.016934E+000 2.561072E-004 1.854978E+003 + 3.300000E-002 1.000000E+016 -1.174018E-001 4.016639E-002 3.330872E+000 2.543332E-004 1.842128E+003 + 3.400000E-002 1.000000E+016 -5.317855E-001 -6.029525E-001 3.428962E+000 2.528590E-004 1.831451E+003 + 3.500000E-002 1.000000E+016 -2.144613E-001 4.524141E-001 4.418028E+000 2.513655E-004 1.820634E+003 + 3.600000E-002 1.000000E+016 -1.340654E-001 1.191213E+000 4.203271E+000 2.500537E-004 1.811133E+003 + 3.700000E-002 1.000000E+016 3.506928E-001 1.098620E+000 4.607171E+000 2.484015E-004 1.799165E+003 + 3.800000E-002 1.000000E+016 7.796860E-002 7.773189E-001 4.400151E+000 2.471742E-004 1.790276E+003 + 3.900000E-002 1.000000E+016 7.990081E-002 8.110643E-001 4.915350E+000 2.457268E-004 1.779792E+003 + 4.000000E-002 1.000000E+016 -1.043698E-001 1.044043E+000 4.315010E+000 2.445257E-004 1.771093E+003 + 4.100000E-002 1.000000E+016 5.058194E-001 7.405731E-001 4.115996E+000 2.433678E-004 1.762706E+003 + 4.200000E-002 1.000000E+016 3.387548E-002 8.388222E-001 4.107150E+000 2.425017E-004 1.756434E+003 + 4.300000E-002 1.000000E+016 -5.001705E-001 6.152194E-001 4.289935E+000 2.416052E-004 1.749940E+003 + 4.400000E-002 1.000000E+016 -1.842147E-001 3.431945E-001 4.075630E+000 2.409162E-004 1.744949E+003 + 4.500000E-002 1.000000E+016 -3.546594E-002 8.876595E-001 3.746183E+000 2.399656E-004 1.738065E+003 + 4.600000E-002 1.000000E+016 -1.487821E-001 2.192121E-001 2.687980E+000 2.389644E-004 1.730813E+003 + 4.700000E-002 1.000000E+016 4.498712E-001 2.323696E-001 2.890550E+000 2.382657E-004 1.725752E+003 + 4.800000E-002 1.000000E+016 1.031002E+000 -3.794016E-001 2.671317E+000 2.375440E-004 1.720525E+003 + 4.900000E-002 1.000000E+016 6.561700E-001 -1.040203E+000 3.081579E+000 2.369174E-004 1.715986E+003 + 5.000000E-002 1.000000E+016 8.996299E-001 -7.056876E-001 2.735524E+000 2.363875E-004 1.712149E+003 + 5.100000E-002 1.000000E+016 7.402389E-001 -1.335952E+000 1.663985E+000 2.357322E-004 1.707402E+003 + 5.200000E-002 1.000000E+016 3.363246E-001 -2.072503E-001 9.019023E-001 2.350246E-004 1.702277E+003 + 5.300000E-002 1.000000E+016 6.203754E-001 -2.796833E-001 9.944490E-001 2.345310E-004 1.698702E+003 + 5.400000E-002 1.000000E+016 5.977929E-001 6.590231E-001 9.397058E-001 2.342456E-004 1.696634E+003 + 5.500000E-002 1.000000E+016 4.699304E-001 2.665536E-001 1.534996E+000 2.337148E-004 1.692790E+003 + 5.600000E-002 1.000000E+016 2.256243E-001 -1.682516E-001 6.996709E-001 2.333481E-004 1.690134E+003 + 5.700000E-002 1.000000E+016 2.914025E-001 -3.028430E-001 1.630107E-001 2.330243E-004 1.687788E+003 + 5.800000E-002 1.000000E+016 1.132208E+000 7.455310E-002 3.021960E-001 2.325987E-004 1.684706E+003 + 5.900000E-002 1.000000E+016 7.215729E-001 -2.603865E-001 3.673259E-001 2.324740E-004 1.683803E+003 + 6.000000E-002 1.000000E+016 5.985303E-001 -1.236982E+000 1.967922E-001 2.319044E-004 1.679677E+003 + 6.100000E-002 1.000000E+016 1.537380E-002 -1.393419E+000 6.414089E-001 2.312904E-004 1.675230E+003 + 6.200000E-002 1.000000E+016 8.913379E-001 -6.872706E-001 6.518366E-001 2.312701E-004 1.675083E+003 + 6.300000E-002 1.000000E+016 7.849839E-001 2.090898E-001 1.445604E+000 2.309417E-004 1.672704E+003 + 6.400000E-002 1.000000E+016 -1.646560E-001 9.942927E-001 2.214252E+000 2.304485E-004 1.669133E+003 + 6.500000E-002 1.000000E+016 3.778396E-001 1.340634E+000 1.506110E+000 2.302595E-004 1.667763E+003 + 6.600000E-002 1.000000E+016 9.897289E-001 1.048962E+000 1.814283E+000 2.300281E-004 1.666087E+003 + 6.700000E-002 1.000000E+016 6.039617E-001 7.768105E-001 1.994903E+000 2.298086E-004 1.664497E+003 + 6.800000E-002 1.000000E+016 9.576146E-001 7.388812E-001 1.762792E+000 2.296733E-004 1.663518E+003 + 6.900000E-002 1.000000E+016 7.160926E-001 9.976103E-001 1.349473E+000 2.295424E-004 1.662569E+003 + 7.000000E-002 1.000000E+016 1.255169E+000 9.599493E-001 2.336525E+000 2.293401E-004 1.661105E+003 + 7.100000E-002 1.000000E+016 2.106450E+000 7.560731E-001 2.980873E+000 2.290591E-004 1.659069E+003 + 7.200000E-002 1.000000E+016 1.857969E+000 3.093413E-001 2.953163E+000 2.289441E-004 1.658236E+003 + 7.300000E-002 1.000000E+016 1.904209E+000 5.108876E-001 3.169157E+000 2.290076E-004 1.658696E+003 + 7.400000E-002 1.000000E+016 2.006805E+000 6.880648E-001 3.369056E+000 2.288129E-004 1.657286E+003 + 7.500000E-002 1.000000E+016 1.892815E+000 1.505993E+000 3.090358E+000 2.285779E-004 1.655583E+003 + 7.600000E-002 1.000000E+016 2.226580E+000 1.384828E+000 2.475492E+000 2.284259E-004 1.654483E+003 + 7.700000E-002 1.000000E+016 2.195128E+000 1.240518E+000 6.926558E-001 2.282675E-004 1.653335E+003 + 7.800000E-002 1.000000E+016 1.137877E+000 1.095236E+000 1.963245E+000 2.281756E-004 1.652670E+003 + 7.900000E-002 1.000000E+016 1.015051E+000 1.105227E+000 1.447159E+000 2.280756E-004 1.651945E+003 + 8.000000E-002 1.000000E+016 1.540456E+000 1.120939E+000 1.487611E+000 2.278435E-004 1.650265E+003 + 8.100000E-002 1.000000E+016 1.030799E+000 3.630932E-001 1.260493E+000 2.278962E-004 1.650646E+003 + 8.200000E-002 1.000000E+016 1.473143E+000 5.213161E-001 6.280897E-001 2.278736E-004 1.650483E+003 + 8.300000E-002 1.000000E+016 1.787845E+000 1.524493E-001 5.501132E-001 2.280828E-004 1.651998E+003 + 8.400000E-002 1.000000E+016 2.193689E+000 3.838730E-001 1.499986E-001 2.281943E-004 1.652805E+003 + 8.500000E-002 1.000000E+016 2.513871E+000 -6.591470E-002 -3.648401E-002 2.280825E-004 1.651996E+003 + 8.600000E-002 1.000000E+016 2.148260E+000 -4.954157E-001 3.351740E-001 2.278605E-004 1.650388E+003 + 8.700000E-002 1.000000E+016 2.557280E+000 -6.999568E-001 7.806650E-001 2.278748E-004 1.650491E+003 + 8.800000E-002 1.000000E+016 2.679866E+000 -4.935297E-001 7.358270E-001 2.279471E-004 1.651015E+003 + 8.900000E-002 1.000000E+016 2.569830E+000 -8.840927E-001 1.379369E+000 2.280500E-004 1.651760E+003 + 9.000000E-002 1.000000E+016 2.327946E+000 -3.610226E-001 1.317628E+000 2.280246E-004 1.651576E+003 + 9.100000E-002 1.000000E+016 2.287937E+000 -3.774236E-001 1.332766E+000 2.281413E-004 1.652421E+003 + 9.200000E-002 1.000000E+016 1.931685E+000 -1.006178E-001 1.917987E+000 2.281872E-004 1.652754E+003 + 9.300000E-002 1.000000E+016 1.718958E+000 -9.201061E-001 2.370334E+000 2.281595E-004 1.652553E+003 + 9.400000E-002 1.000000E+016 2.412990E+000 -4.987410E-002 1.794932E+000 2.280203E-004 1.651545E+003 + 9.500000E-002 1.000000E+016 1.903782E+000 6.442444E-001 1.479207E+000 2.281081E-004 1.652181E+003 + 9.600000E-002 1.000000E+016 1.636842E+000 4.929739E-001 1.896435E+000 2.280762E-004 1.651950E+003 + 9.700000E-002 1.000000E+016 1.359085E+000 1.242267E+000 2.218074E+000 2.279533E-004 1.651059E+003 + 9.800000E-002 1.000000E+016 1.473075E+000 1.353551E+000 1.569154E+000 2.280272E-004 1.651595E+003 + 9.900000E-002 1.000000E+016 9.210632E-001 1.746786E+000 1.581835E+000 2.279043E-004 1.650705E+003 + 1.000000E-001 1.000000E+016 1.488048E+000 1.894104E+000 1.666770E+000 2.279906E-004 1.651330E+003 + 1.010000E-001 1.000000E+016 1.419684E+000 2.151627E+000 1.746960E+000 2.280237E-004 1.651570E+003 + 1.020000E-001 1.000000E+016 1.304506E+000 1.970052E+000 1.230523E+000 2.279642E-004 1.651139E+003 + 1.030000E-001 1.000000E+016 9.448693E-001 2.954577E+000 1.064958E+000 2.276781E-004 1.649066E+003 + 1.040000E-001 1.000000E+016 1.257212E+000 3.829339E+000 8.899482E-001 2.275241E-004 1.647951E+003 + 1.050000E-001 1.000000E+016 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100644 --- a/runs/0D_Argon/curve_Temperature.gp +++ b/runs/0D_Argon/plot_Temperature.gp @@ -43,6 +43,8 @@ set output "comp_temp.eps" filename1 = "OUTPUT_Argon.dat" filename2 = "OUTPUT_Argon+.dat" +folder = 'output/' + set lmargin at screen lmar set rmargin at screen rmar @@ -58,7 +60,6 @@ set ylabel "Temperature (K)" offset 1.4,0.0 set key width 0.5 height 0.1 spacing 1.3 samplen 0.2 box opaque font ",16" set key at graph 0.95, graph 0.9 right top -plot filename1 u ($1):($7) t "Ar" ls 1 with lines, \ - filename2 u ($1):($7) t "Ar^{+}" ls 2 with lines, \ - '< paste OUTPUT_Argon.dat OUTPUT_Argon+.dat' u ($1):($7 + $14) t "Sum" ls 3 with lines +plot folder.filename1 u ($1):($7) t "Ar" ls 1 with lines, \ + folder.filename2 u ($1):($7) t "Ar^{+}" ls 2 with lines diff --git a/runs/1D_Cathode/README.txt b/runs/1D_Cathode/README.txt new file mode 100644 index 0000000..71637ae --- /dev/null +++ b/runs/1D_Cathode/README.txt @@ -0,0 +1,8 @@ +This case is useful to explain how fpakc can work with different geometries (Cartisian and Radial in this case) using very similar input files and the same mesh. + +From the position to the left, electrons are emitted at a constant rate. +The electric potential at the left is fixed at 0. + +Depending on the geometry (which affects the symmetry) different distributions of the electron density and electric potential are achieved. + +The last iteration obtained for these cases is in the output folder. diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index a2acdc3..9680ba8 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 100, + "triggerOutput": 1000, "cpuTime": false, "numColl": false, "EMField": true, @@ -20,16 +20,13 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ - {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, {"type": "transparent"} ]} ], @@ -37,17 +34,13 @@ {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 300.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "solver": { - "tau": [1.0e-11, 1.0e-11], - "finalTime": 4.0e-6, - "pusher": ["Electrostatic", "Electrostatic"], + "tau": [1.0e-11], + "finalTime": 3.0e-7, + "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, "parallel": { diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRadEmission.json index 6f0e892..8fd8daa 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRadEmission.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 100, + "triggerOutput": 1000, "cpuTime": false, "numColl": false, "EMField": true, @@ -20,16 +20,13 @@ "meshFile": "mesh.msh" }, "species": [ - {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1}, - {"name": "Argon+", "type": "charged", "mass": 6.633e-26, "charge": 1.0, "weight": 1.0e1} + {"name": "Electron", "type": "charged", "mass": 9.109e-31, "charge":-1.0, "weight": 1.0e1} ], "boundary": [ {"name": "Cathode", "physicalSurface": 1, "bTypes": [ - {"type": "absorption"}, {"type": "absorption"} ]}, {"name": "Infinite", "physicalSurface": 2, "bTypes": [ - {"type": "transparent"}, {"type": "transparent"} ]} ], @@ -37,17 +34,13 @@ {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Inf Ar+", "species": "Argon+", "flow": 1.00e-6, "units": "A", "v": 323.0, "T": [ 500.0, 500.0, 500.0], - "velDist": ["Delta", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, - {"name": "Plasma Inf e", "species": "Electron", "flow": 2.64e-4, "units": "A", "v": 0.0, "T": [11604.0, 11604.0, 11604.0], - "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2}, {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "solver": { - "tau": [1.0e-11, 1.0e-11], + "tau": [1.0e-11], "finalTime": 3.0e-7, - "pusher": ["Electrostatic", "Electrostatic"], + "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, "parallel": { diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index db9ea74..de6cc65 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -913,7 +913,6 @@ MODULE moduleInput SELECT CASE(mesh%dimen) CASE (0) - CALL config%get(object // '.meshType', meshFormat, found) CALL init0D(mesh) !Read the 0D mesh From 2850f3755108531bc840ecc97b64af247a83c98a Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 10 Dec 2022 10:37:14 +0100 Subject: [PATCH 052/203] Test of examples As all pushers and geometries have change, I'm testing all examples, adding a README.txt and a reference output for each case. --- doc/user-manual/fpakc_UserManual.pdf | Bin 175069 -> 174638 bytes doc/user-manual/fpakc_UserManual.tex | 11 +- runs/1D_Cathode/inputCart.json | 4 +- .../{inputRadEmission.json => inputRad.json} | 6 +- .../output/Cartesian/OUTPUT_1000_EMField.msh | 185 + .../output/Cartesian/OUTPUT_1000_Electron.msh | 247 + .../output/Radial/OUTPUT_1000_EMField.msh | 185 + .../output/Radial/OUTPUT_1000_Electron.msh | 247 + runs/cylFlow/README.txt | 7 + runs/cylFlow/input.json | 3 +- runs/cylFlow/inputDualMesh.json | 2 +- .../cylFlow/output/dual/OUTPUT_1000_Argon.msh | 8183 +++++++++++++++++ .../output/dual/OUTPUT_1000_Collisions.msh | 1943 ++++ .../output/single/OUTPUT_1000_Argon.msh | 8183 +++++++++++++++++ .../output/single/OUTPUT_1000_Collisions.msh | 1943 ++++ 15 files changed, 21137 insertions(+), 12 deletions(-) rename runs/1D_Cathode/{inputRadEmission.json => inputRad.json} (94%) create mode 100644 runs/1D_Cathode/output/Cartesian/OUTPUT_1000_EMField.msh create mode 100644 runs/1D_Cathode/output/Cartesian/OUTPUT_1000_Electron.msh create 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b/doc/user-manual/fpakc_UserManual.tex @@ -47,6 +47,7 @@ \newglossaryentry{git}{name={Git},description={Git is a distributed version-control system for tracking changes in a set of files}} \newglossaryentry{gitlab}{name={GitLab},description={GitLab is a web-based lifecycle tool that provides a \Gls{git}-repository manager}} \newglossaryentry{gmsh}{name={Gmsh},description={A three-dimensional finite element mesh generator with built-in pre- and post-processing facilities.}} +\newglossaryentry{gnuplot}{name={Gnuplot},description={A portable command-line driven graphing utility for Linux, OS/2, MS Windows, OSX, VMS, and many other platforms.}} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \bibliography{bibliography} @@ -287,7 +288,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{Gmsh} Although \Gls{gmsh}\cite{gmshURL} is not required to compile and run \Gls{fpakc}, it is the default tool to generate finite element meshes and post-processing. - Right now, the only \acrshort{io} format available in \Gls{fpakc} is the v2.0 .msh format. + Right now, the only \acrshort{io} format available in \Gls{fpakc} is the v2.0 \lstinline|.msh| format. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Installation steps} @@ -340,7 +341,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Mesh file} - \Gls{fpakc} accepts right now the version 2.0 of \Gls{gmsh} mesh format .msh in ASCII format. + \Gls{fpakc} accepts right now the version 2.0 of \Gls{gmsh} mesh format \lstinline|.msh| in ASCII format. This file contains information about the nodes, edges and volumes that define the finite element mesh used by \Gls{fpakc} to scatter particle properties and compute the self-consistent electromagnetic field. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -743,6 +744,8 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Example runs}\label{ch:exampleRuns} This chapter presents a description of the different example files distributed with \acrshort{fpakc}. + All examples in the repository have a \lstinline|README.txt| file and a reference output. + Plotting of the output is done with \Gls{gnuplot} or \Gls{gmsh}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} @@ -754,7 +757,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{0D \ce{Ar}-\ce{Ar+} Elastic Collision (0D\_Argon)} Test case to check the 0D geometry that includes the elastic collision between \ce{Ar} and \ce{Ar+}. - Initial states are read from the Argon\_Initial.dat and Argon+\_Initial.dat + Initial states are read from the \lstinline|Argon_Initial.dat| and \lstinline|Argon+_Initial.dat|. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{ALPHIE Grid system (ALPHIE\_Grid)} @@ -765,7 +768,7 @@ make \section{Flow around cylinder (cylFlow)} Simple case of neutral Argon flow around a cylinder in a 2D axial-symmetry geometry. Elastic collisions between argon particles are included. - Two cases are presented here: one in which the same mesh (meshSingle.msh) for scattering and collisions is used (input.json) and a second one (inputDualMesh.json) in which a mesh is used for scattering (mesh.msh) and a second one is used only for collisions (meshColl.msh). + Two cases are presented here: one in which the same mesh (\lstinline|meshSingle.msh|) for scattering and collisions is used (\lstinline|input.json|) and a second one (\lstinline|inputDualMesh.json|) in which a mesh is used for scattering (\lstinline|mesh.msh|) and a second one is used only for collisions (\lstinline|meshColl.msh|). %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \printglossaries diff --git a/runs/1D_Cathode/inputCart.json b/runs/1D_Cathode/inputCart.json index 9680ba8..98d9e1a 100644 --- a/runs/1D_Cathode/inputCart.json +++ b/runs/1D_Cathode/inputCart.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 1000, + "triggerOutput": 100, "cpuTime": false, "numColl": false, "EMField": true, @@ -39,7 +39,7 @@ ], "solver": { "tau": [1.0e-11], - "finalTime": 3.0e-7, + "finalTime": 1.0e-8, "pusher": ["Electrostatic"], "EMSolver": "Electrostatic" }, diff --git a/runs/1D_Cathode/inputRadEmission.json b/runs/1D_Cathode/inputRad.json similarity index 94% rename from runs/1D_Cathode/inputRadEmission.json rename to runs/1D_Cathode/inputRad.json index 8fd8daa..34a09ce 100644 --- a/runs/1D_Cathode/inputRadEmission.json +++ b/runs/1D_Cathode/inputRad.json @@ -2,7 +2,7 @@ { "output": { "path": "./runs/1D_Cathode/", - "triggerOutput": 1000, + "triggerOutput": 100, "cpuTime": false, "numColl": false, "EMField": true, @@ -15,7 +15,7 @@ }, "geometry": { "dimension": 1, - "type": "Cart", + "type": "Rad", "meshType": "gmsh2", "meshFile": "mesh.msh" }, @@ -39,7 +39,7 @@ ], "solver": { "tau": [1.0e-11], - "finalTime": 3.0e-7, + "finalTime": 1.0e-8, "pusher": 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independent meshes for particles and collisions. + +CPU time is outputed. +Gnuplot scripts for plotting the CPU time are provided. diff --git a/runs/cylFlow/input.json b/runs/cylFlow/input.json index 677206e..fc7bd02 100644 --- a/runs/cylFlow/input.json +++ b/runs/cylFlow/input.json @@ -43,9 +43,8 @@ }, "solver": { "tau": [5.0e-7], - "finalTime": 1.0e-3, + "finalTime": 5.0e-4, "pusher": ["Neutral"], - "WeightingScheme": "Volume" }, "interactions": { "folderCollisions": "./data/collisions/", diff --git a/runs/cylFlow/inputDualMesh.json b/runs/cylFlow/inputDualMesh.json index 42d539c..78eec58 100644 --- a/runs/cylFlow/inputDualMesh.json +++ b/runs/cylFlow/inputDualMesh.json @@ -44,7 +44,7 @@ }, "solver": { "tau": [5.0e-7], - "finalTime": 1.0e-3, + "finalTime": 5.0e-4, "pusher": ["Neutral"], "WeightingScheme": "Volume" }, diff --git a/runs/cylFlow/output/dual/OUTPUT_1000_Argon.msh b/runs/cylFlow/output/dual/OUTPUT_1000_Argon.msh new file mode 100644 index 0000000..38bba30 --- /dev/null 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modified to generate new grids to test different configurations. + +Two cases are provided: + Clasical case in which ions and electrons are input from the ionization chamber. + Ionization case in which ion-electron pairs are generated due to the influx of electrons using the Ionization boundary condition. From 924ba4e20e2d36adfc04f9761551637b80dcaa28 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 11 Dec 2022 22:39:28 +0100 Subject: [PATCH 054/203] Alphie grid case and issues Output for the example ALPHIE_Grid. Found an issue when multiple injections were used with species with different time steps. Modification to the way to compute the ionization boundary: The maximum number of ionizations is computed by eRel/eThreshold (relative energy / threshold of ionization) For each possible ionization, the probability of ionization is computed based on the density of neutrals, cross section and effective time divided by the number of maximum ionizations. If an ionization takes place, the ionization energy is substracted from the relative energy. --- runs/ALPHIE_Grid/inputBaseCase.json | 9 +- runs/ALPHIE_Grid/inputIonization_0.10mA.json | 9 +- runs/ALPHIE_Grid/mesh.geo | 10 +- runs/ALPHIE_Grid/mesh.msh | 2674 ++++++++-------- .../output/Classic/OUTPUT_100000_Argon+.msh | 2839 +++++++++++++++++ .../output/Classic/OUTPUT_100000_EMField.msh | 2021 ++++++++++++ .../output/Classic/OUTPUT_100000_Electron.msh | 2839 +++++++++++++++++ .../Ionization/OUTPUT_100000_Argon+.msh | 2839 +++++++++++++++++ .../Ionization/OUTPUT_100000_EMField.msh | 2021 ++++++++++++ .../Ionization/OUTPUT_100000_Electron.msh | 2839 +++++++++++++++++ src/modules/mesh/moduleMeshBoundary.f90 | 31 +- src/modules/moduleInject.f90 | 12 +- 12 files changed, 16778 insertions(+), 1365 deletions(-) create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_Argon+.msh create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_EMField.msh create mode 100644 runs/ALPHIE_Grid/output/Classic/OUTPUT_100000_Electron.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_Argon+.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_EMField.msh create mode 100644 runs/ALPHIE_Grid/output/Ionization/OUTPUT_100000_Electron.msh diff --git a/runs/ALPHIE_Grid/inputBaseCase.json b/runs/ALPHIE_Grid/inputBaseCase.json index db58686..b20d3a6 100644 --- a/runs/ALPHIE_Grid/inputBaseCase.json +++ b/runs/ALPHIE_Grid/inputBaseCase.json @@ -46,14 +46,15 @@ "boundaryEM": [ {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1}, + {"name": "Infinite", "type": "dirichlet", "potential": -600.0, "physicalSurface": 2} ], "inject": [ - {"name": "Ionization Argon+", "species": "Argon+", "flow": 27.0e-6, "units": "A", "v": 322.0, "T": [ 500.0, 500.0, 500.0], + {"name": "Ionization Argon+", "species": "Argon+", "flow": 1.0e-5, "units": "A", "v": 2500.0, "T": [ 500.0, 500.0, 500.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Ionization Electron", "species": "Electron", "flow": 27.0e-6, "units": "A", "v": 87000.0, "T": [ 500.0, 500.0, 500.0], + {"name": "Ionization Electron", "species": "Electron", "flow": 1.0e-5, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1}, - {"name": "Cathode Electron", "species": "Electron", "flow": 9.0e-5, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} ], "reference": { diff --git a/runs/ALPHIE_Grid/inputIonization_0.10mA.json b/runs/ALPHIE_Grid/inputIonization_0.10mA.json index d328139..cc51f2d 100644 --- a/runs/ALPHIE_Grid/inputIonization_0.10mA.json +++ b/runs/ALPHIE_Grid/inputIonization_0.10mA.json @@ -5,7 +5,7 @@ "cpuTime": false, "numColl": false, "EMField": true, - "folder": "ionization_0.10mA" + "folder": "ionization_0.10mA" }, "geometry": { "dimension": 2, @@ -20,7 +20,7 @@ "boundary": [ {"name": "Ionization Chanber", "physicalSurface": 1, "bTypes": [ {"type": "transparent"}, - {"type": "ionization", "neutral": {"ion": "Argon+", "mass": 6.633e-26, "density": 1.0e17, "velocity": [323, 0, 0], "temperature": 300}, + {"type": "ionization", "neutral": {"ion": "Argon+", "mass": 6.633e-26, "density": 5.0e16, "velocity": [2500, 0, 0], "temperature": 300}, "effectiveTime": 5.0e-6,"energyThreshold": 15.76, "crossSection": "./data/collisions/IO_e-Ar.dat"} ]}, {"name": "Vacuum Chamber", "physicalSurface": 2, "bTypes": [ @@ -47,10 +47,11 @@ "boundaryEM": [ {"name": "Extraction Grid", "type": "dirichlet", "potential": -150.0, "physicalSurface": 4}, {"name": "Acceleration Grid", "type": "dirichlet", "potential": -600.0, "physicalSurface": 5}, - {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Ionization Chamber", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1}, + {"name": "Infinite", "type": "dirichlet", "potential": -600.0, "physicalSurface": 2} ], "inject": [ - {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [2500.0, 2500.0, 2500.0], + {"name": "Cathode Electron", "species": "Electron", "flow": 1.0e-4, "units": "A", "v": 87000.0, "T": [30000.0, 30000.0, 30000.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [-1, 0, 0], "physicalSurface": 2} ], "reference": { diff --git a/runs/ALPHIE_Grid/mesh.geo b/runs/ALPHIE_Grid/mesh.geo index f76e393..b4021cc 100644 --- a/runs/ALPHIE_Grid/mesh.geo +++ b/runs/ALPHIE_Grid/mesh.geo @@ -1,11 +1,11 @@ -zg1 = 0.0025; -tg1 = 0.0004; +zg1 = 0.0020; +tg1 = 0.0003; rg1 = 0.0005; -dg = 0.0025; -zg2 = zg1+tg1+dg; +dg = 0.0020; +zg2 = zg1 + tg1 + dg; tg2 = tg1; rg2 = rg1; -zEnd = 0.0042; +zEnd = 0.0050; Lz = zg2 + tg2 + zEnd; Lr = rg1 + 0.0001; diff --git a/runs/ALPHIE_Grid/mesh.msh b/runs/ALPHIE_Grid/mesh.msh index 0b73a77..0714ec1 100644 --- a/runs/ALPHIE_Grid/mesh.msh +++ b/runs/ALPHIE_Grid/mesh.msh @@ -2,711 +2,709 @@ $MeshFormat 2.2 0 8 $EndMeshFormat $Nodes -701 +699 1 0 0 0 -2 0.0025 0 0 -3 0.0029 0 0 -4 0.0054 0 0 -5 0.0058 0 0 +2 0.002 0 0 +3 0.0025 0 0 +4 0.004500000000000001 0 0 +5 0.005000000000000001 0 0 6 0.01 0 0 7 0.01 0.0005 0 -8 0.01 0.0005999999999999999 0 -9 0.0058 0.0005999999999999999 0 -10 0.0058 0.0005 0 -11 0.0054 0.0005 0 -12 0.0054 0.0005999999999999999 0 -13 0.0029 0.0005999999999999999 0 -14 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2.044819E+004 + 689 2.716955E+004 + 690 2.480474E+004 + 691 2.409948E+004 + 692 2.519903E+004 + 693 2.537669E+004 + 694 2.482852E+004 + 695 2.484168E+004 + 696 2.382806E+004 + 697 2.791251E+004 + 698 2.614629E+004 + 699 2.462437E+004 +$EndNodeData diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 5f3bc26..91edb35 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -110,31 +110,34 @@ MODULE moduleMeshBoundary USE moduleMesh USE moduleRefParam USE moduleRandom + USE moduleMath IMPLICIT NONE CLASS(meshEdge), INTENT(inout):: edge CLASS(particle), INTENT(inout):: part REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass - REAL(8):: ionizationRate - INTEGER:: ionizationPair, p + REAL(8):: nIonizations !Number of ionizations based on eRel + REAL(8):: pIonization !Probability of ionization of each event + INTEGER:: p REAL(8):: v0(1:3) !random velocity of neutral TYPE(particle), POINTER:: newElectron TYPE(particle), POINTER:: newIon SELECT TYPE(bound => edge%boundary%bTypes(part%species%n)%obj) TYPE IS(boundaryIonization) - mRel = (bound%m0*part%species%m)*(bound%m0+part%species%m) + mRel = reducedMass(bound%m0, part%species%m) vRel = SUM(DABS(part%v-bound%v0)) eRel = mRel*vRel**2*5.D-1 - IF (eRel > bound%eThreshold) THEN - ionizationRate = part%weight*bound%n0*bound%crossSection%get(eRel)*vRel + !Maximum number of possible ionizations based on relative energy + nIonizations = eRel/bound%eThreshold - !Rounds the number of particles up - ionizationPair = NINT(ionizationRate*bound%effectiveTime/bound%species%weight) + DO p = 1, FLOOR(nIonizations) + !Get probability of ionization + pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/nIonizations) - !Create the new pair of particles - DO p = 1, ionizationPair + !If a random number is below the probability of ionization, create new pair of ion-electron + IF (random() < pIonization) THEN !Assign random velocity to the neutral v0(1) = bound%v0(1) + bound%vTh*randomMaxwellian() v0(2) = bound%v0(2) + bound%vTh*randomMaxwellian() @@ -159,7 +162,7 @@ MODULE moduleMeshBoundary newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) newIon%xi = newElectron%xi - newElectron%weight = bound%species%weight + newElectron%weight = part%weight newIon%weight = newElectron%weight newElectron%n_in = .TRUE. @@ -171,9 +174,13 @@ MODULE moduleMeshBoundary CALL partSurfaces%add(newIon) CALL OMP_UNSET_LOCK(lockSurfaces) - END DO + !Electron loses energy due to ionization + eRel = eRel - bound%eThreshold + vRel = 2.D0*DSQRT(eRel)/mRel - END IF + END IF + + END DO END SELECT diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 26f5ce1..fef500e 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -252,12 +252,22 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(in):: self INTEGER:: randomX INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array + INTEGER:: i INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge !Insert particles !$OMP SINGLE - nMin = SUM(inject(1:(self%id-1))%nParticles) + 1 + nMin = 0 + DO i = 1, self%id -1 + IF (solver%pusher(inject(i)%species%n)%pushSpecies) THEN + nMin = nMin + inject(i)%nParticles + + END IF + + END DO + + nMin = nMin + 1 nMax = nMin + self%nParticles - 1 !Assign weight to particle. partInj(nMin:nMax)%weight = self%species%weight From 2ee58b6b771fdb45e68e8073e528712ad4eac674 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 12 Dec 2022 17:36:10 +0100 Subject: [PATCH 055/203] Small change to ionization boundary Very small change in formats to better account the ionization processes. Minimum impact in results. --- src/modules/mesh/moduleMeshBoundary.f90 | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 91edb35..c5f3fc3 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -116,7 +116,7 @@ MODULE moduleMeshBoundary CLASS(meshEdge), INTENT(inout):: edge CLASS(particle), INTENT(inout):: part REAL(8):: vRel, eRel, mRel !relative velocity, energy and mass - REAL(8):: nIonizations !Number of ionizations based on eRel + INTEGER:: nIonizations !Number of ionizations based on eRel REAL(8):: pIonization !Probability of ionization of each event INTEGER:: p REAL(8):: v0(1:3) !random velocity of neutral @@ -130,11 +130,11 @@ MODULE moduleMeshBoundary eRel = mRel*vRel**2*5.D-1 !Maximum number of possible ionizations based on relative energy - nIonizations = eRel/bound%eThreshold + nIonizations = FLOOR(eRel/bound%eThreshold) - DO p = 1, FLOOR(nIonizations) + DO p = 1, nIonizations !Get probability of ionization - pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/nIonizations) + pIonization = 1.D0 - DEXP(-bound%n0*bound%crossSection%get(eRel)*vRel*bound%effectiveTime/REAL(nIonizations)) !If a random number is below the probability of ionization, create new pair of ion-electron IF (random() < pIonization) THEN From c7d205e4dd05892e3a08fdf7ceb3aaff66e95e13 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 12 Dec 2022 17:57:18 +0100 Subject: [PATCH 056/203] fix possible issue in particle injection --- src/modules/moduleInject.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index fef500e..6b8c7a0 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -156,6 +156,7 @@ MODULE moduleInject !Calculates cumulative probability ALLOCATE(self%cumWeight(1:self%nEdges)) + et = 1 self%cumWeight(1) = mesh%edges(self%edges(et))%obj%weight DO et = 2, self%nEdges self%cumWeight(et) = mesh%edges(self%edges(et))%obj%weight + self%cumWeight(et-1) From b2eb7c562281b361256063df4018e2aa63c743c8 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 14 Dec 2022 16:22:59 +0100 Subject: [PATCH 057/203] First commit for average scheme New module defined that will take care of averaging the output in the nodes. --- src/makefile | 2 +- src/modules/makefile | 2 +- src/modules/moduleAverage.f90 | 65 +++++++++++++++++++++++++++++++++++ src/modules/moduleMath.f90 | 11 ++++++ src/modules/moduleOutput.f90 | 64 ++++++++++++++++++++++++++++++---- src/modules/moduleSolver.f90 | 16 +++++++++ 6 files changed, 151 insertions(+), 9 deletions(-) create mode 100644 src/modules/moduleAverage.f90 diff --git a/src/makefile b/src/makefile index 9022723..24ad089 100644 --- a/src/makefile +++ b/src/makefile @@ -4,7 +4,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ - $(OBJDIR)/moduleProbe.o \ + $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ diff --git a/src/modules/makefile b/src/modules/makefile index c83d436..d3931f4 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -25,7 +25,7 @@ moduleList.o: moduleConstParam.o moduleErrors.o moduleCaseParam.o moduleSpecies. moduleOutput.o: moduleMath.o moduleRefParam.o moduleOutput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleSolver.o: moduleProbe.o moduleEM.o moduleSolver.f90 +moduleSolver.o: moduleProbe.o moduleEM.o moduleAverage.o moduleSolver.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleProbe.o: mesh.o moduleProbe.f90 diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 new file mode 100644 index 0000000..9b614c0 --- /dev/null +++ b/src/modules/moduleAverage.f90 @@ -0,0 +1,65 @@ +MODULE moduleAverage + USE moduleOutput + + TYPE:: averageData + TYPE(outputNode), ALLOCATABLE:: output(:) + TYPE(emNode):: emData + + END TYPE averageData + + !Generic type for average scheme + TYPE, PUBLIC:: averageGeneric + INTEGER:: tStart !Starting iteartion for average scheme + TYPE(averageData), ALLOCATABLE:: mean(:) + TYPE(averageData), ALLOCATABLE:: deviation(:) + CONTAINS + PROCEDURE, PASS:: updateAverage + + END TYPE averageGeneric + + TYPE(averageGeneric):: averageScheme + + !Logical to determine if average scheme must be used + LOGICAL:: useAverage + + CONTAINS + !Based on Welford's online algorithm + SUBROUTINE updateAverage(self, t) + USE moduleMesh + USE moduleSpecies + USE moduleOutput + IMPLICIT NONE + + CLASS(averageGeneric), INTENT(inout):: self + INTEGER, INTENT(in):: t + INTEGER:: tAverage + INTEGER:: n, s + TYPE(averageData):: newAverage + + tAverage = t - self%tStart + + IF (tAverage == 1) THEN + !First iteration in which average scheme is used + DO n = 1, mesh%numNodes + !Copy current data as mean + self%mean(n)%output(:) = mesh%nodes(n)%obj%output(:) + + END DO + + ELSEIF (tAverage > 1) THEN + !Normal average step + DO n = 1, mesh%numNodes + DO s = 1, nSpecies + newAverage%output(s) = self%mean(n)%output(s) + (mesh%nodes(n)%obj%output(s) - self%mean(n)%output(s))/tAverage + + END DO + + self%mean(n)%output(:) = newAverage%output(:) + + END DO + + END IF + + END SUBROUTINE updateAverage + +END MODULE moduleAverage diff --git a/src/modules/moduleMath.f90 b/src/modules/moduleMath.f90 index ca8d780..adb0d24 100644 --- a/src/modules/moduleMath.f90 +++ b/src/modules/moduleMath.f90 @@ -59,4 +59,15 @@ MODULE moduleMath END FUNCTION + FUNCTION tensorTrace(a) RESULT(t) + IMPLICIT NONE + + REAL(8), DIMENSION(1:3,1:3):: a + REAL(8):: t + + t = 0.D0 + t = a(1,1)+a(2,2)+a(3,3) + + END FUNCTION tensorTrace + END MODULE moduleMath diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index ecc5462..9cb23a7 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -1,9 +1,19 @@ !Contains information about output MODULE moduleOutput IMPLICIT NONE + !Output for each node - TYPE outputNode + TYPE, PUBLIC:: outputNode REAL(8):: den = 0.D0, mom(1:3) = 0.D0, tensorS(1:3,1:3) = 0.D0 + CONTAINS + PROCEDURE, PASS(self), PRIVATE:: copyOutputNode + PROCEDURE, PASS(self), PRIVATE:: addOutputNode + PROCEDURE, PASS(self), PRIVATE:: subOutputNode + PROCEDURE, PASS(self), PRIVATE:: divOutputNode_int + GENERIC, PUBLIC :: ASSIGNMENT(=) => copyOutputNode + GENERIC, PUBLIC :: OPERATOR(+) => addOutputNode + GENERIC, PUBLIC :: OPERATOR(-) => subOutputNode + GENERIC, PUBLIC :: OPERATOR(/) => divOutputNode_int END TYPE @@ -32,16 +42,56 @@ MODULE moduleOutput LOGICAL:: emOutput = .FALSE. CONTAINS - FUNCTION tensorTrace(a) RESULT(t) + PURE SUBROUTINE copyOutputNode(self, from) IMPLICIT NONE - REAL(8), DIMENSION(1:3,1:3):: a - REAL(8):: t + CLASS(outputNode), INTENT(inout):: self + CLASS(outputNode), INTENT(in):: from - t = 0.D0 - t = a(1,1)+a(2,2)+a(3,3) + self%den = from%den + self%mom = from%mom + self%tensorS = from%tensorS - END FUNCTION tensorTrace + END SUBROUTINE copyOutputNode + + PURE FUNCTION addOutputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den + that%den + total%mom = self%mom + that%mom + total%tensorS = self%tensorS + that%tensorS + + END FUNCTION addOutputNode + + PURE FUNCTION subOutputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den - that%den + total%mom = self%mom - that%mom + total%tensorS = self%tensorS - that%tensorS + + END FUNCTION subOutputNode + + PURE FUNCTION divOutputNode_int(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + INTEGER, INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den / REAL(that) + total%mom = self%mom / REAL(that) + total%tensorS = self%tensorS / REAL(that) + + END FUNCTION divOutputNode_int SUBROUTINE calculateOutput(rawValues, formatValues, nodeVol, speciesIn) USE moduleConstParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 017a321..7182184 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -1,4 +1,5 @@ MODULE moduleSolver + USE moduleAverage !Generic type for pusher of particles TYPE, PUBLIC:: pusherGeneric @@ -15,6 +16,7 @@ MODULE moduleSolver !Generic type for solver TYPE, PUBLIC:: solverGeneric TYPE(pusherGeneric), ALLOCATABLE:: pusher(:) + TYPE(averageGeneric), ALLOCATABLE:: averageScheme PROCEDURE(solveEM_interface), POINTER, NOPASS:: solveEM => NULL() PROCEDURE(weightingScheme_interface), POINTER, NOPASS:: weightingScheme => NULL() CONTAINS @@ -818,5 +820,19 @@ MODULE moduleSolver END SUBROUTINE doOutput + SUBROUTINE doAverage(t) + USE moduleAverage + IMPLICIT NONE + + INTEGER, INTENT(in):: t + + IF (useAverage) THEN + CALL averageScheme%updateAverage(t) + + END IF + + END SUBROUTINE doAverage + + END MODULE moduleSolver From c5c4cbefbfd34a53f87eb06865c35cecbf014c2b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 14 Dec 2022 18:30:14 +0100 Subject: [PATCH 058/203] Output ready Output for Gmsh2 ready. Unfortunatly, code repetition was required. --- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 7 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 82 ++++++++++++++++++- src/modules/mesh/moduleMesh.f90 | 17 +++- src/modules/moduleAverage.f90 | 4 +- src/modules/moduleSolver.f90 | 6 ++ 5 files changed, 106 insertions(+), 10 deletions(-) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 0a3a557..7832843 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -13,9 +13,10 @@ MODULE moduleMeshInputGmsh2 IF (ASSOCIATED(meshForMCC, self)) self%printColl => printCollGmsh2 SELECT TYPE(self) TYPE IS(meshParticles) - self%printOutput => printOutputGmsh2 - self%printEM => printEMGmsh2 - self%readInitial => readInitialGmsh2 + self%printOutput => printOutputGmsh2 + self%printEM => printEMGmsh2 + self%readInitial => readInitialGmsh2 + self%printAverage => printAverageGmsh2 END SELECT self%readMesh => readGmsh2 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 40eda4f..106480a 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -21,7 +21,7 @@ MODULE moduleMeshOutputGmsh2 DO i = 1, nSpecies WRITE(tstring, iterationFormat) t - fileName='OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' + fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) WRITE(60, "(A)") '$MeshFormat' @@ -226,4 +226,84 @@ MODULE moduleMeshOutputGmsh2 END SUBROUTINE printEMGmsh2 + !Prints the average properties of particles into the nodes + SUBROUTINE printAverageGmsh2(self) + USE moduleMesh + USE moduleRefParam + USE moduleSpecies + USE moduleOutput + USE moduleAverage + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER:: n, i + TYPE(outputFormat):: output(1:self%numNodes) + CHARACTER(:), ALLOCATABLE:: fileName + + DO i = 1, nSpecies + fileName= 'Average_mean_OUTPUT_' // species(i)%obj%name // '.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (60, file = path // folder // '/' // fileName) + WRITE(60, "(A)") '$MeshFormat' + WRITE(60, "(A)") '2.2 0 8' + WRITE(60, "(A)") '$EndMeshFormat' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + CALL calculateOutput(averageScheme%mean(n)%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(60, "(I6,ES20.6E3)") n, output(n)%density + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 3 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure + END DO + WRITE(60, "(A)") '$EndNodeData' + WRITE(60, "(A)") '$NodeData' + WRITE(60, "(A)") '1' + WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' + WRITE(60, *) 1 + WRITE(60, *) 0.D0 + WRITE(60, *) 3 + WRITE(60, *) 0 + WRITE(60, *) 1 + WRITE(60, *) self%numNodes + DO n=1, self%numNodes + WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature + END DO + WRITE(60, "(A)") '$EndNodeData' + CLOSE (60) + + END DO + + END SUBROUTINE printAverageGmsh2 + END MODULE moduleMeshOutputGmsh2 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index ebbbed4..05c4b85 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -289,7 +289,7 @@ MODULE moduleMesh CONTAINS PROCEDURE, PASS:: doCollisions - END TYPE + END TYPE meshGeneric ABSTRACT INTERFACE !Reads the mesh from a file @@ -338,9 +338,10 @@ MODULE moduleMesh REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV - PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() - PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() - PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() + PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() + PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() + PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() + PROCEDURE(printAverage_interface), POINTER, PASS:: printAverage => NULL() CONTAINS PROCEDURE, PASS:: constructGlobalK @@ -373,6 +374,14 @@ MODULE moduleMesh END SUBROUTINE printEM_interface + !Prints average values + SUBROUTINE printAverage_interface(self) + IMPORT meshParticles + + CLASS(meshParticles), INTENT(in):: self + + END SUBROUTINE printAverage_interface + END INTERFACE diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index 9b614c0..b697389 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,7 +9,7 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart !Starting iteartion for average scheme + INTEGER:: tStart = 0 !Starting iteartion for average scheme TYPE(averageData), ALLOCATABLE:: mean(:) TYPE(averageData), ALLOCATABLE:: deviation(:) CONTAINS @@ -20,7 +20,7 @@ MODULE moduleAverage TYPE(averageGeneric):: averageScheme !Logical to determine if average scheme must be used - LOGICAL:: useAverage + LOGICAL:: useAverage = .FALSE. CONTAINS !Based on Welford's online algorithm diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 7182184..4d0ec0d 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -818,6 +818,12 @@ MODULE moduleSolver END IF + !Output average values + IF (useAverage .AND. t == tFinal) THEN + CALL mesh%printAverage() + + END IF + END SUBROUTINE doOutput SUBROUTINE doAverage(t) From 38d28887ffa3b78cc5070f5cd91da8780cc6d2b9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 15 Dec 2022 08:35:00 +0100 Subject: [PATCH 059/203] Implementation of average scheme and testing New input variables to activate the average scheme. Still only computing the mean, no the standard deviation. Output checked with ALPHIE Grid example. Looks good. No impact on CPU time, although testing is still required. --- src/fpakc.f90 | 2 ++ src/modules/moduleAverage.f90 | 6 +++++- src/modules/moduleInput.f90 | 36 +++++++++++++++++++++++++++++++++++ 3 files changed, 43 insertions(+), 1 deletion(-) diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 03d0bbb..1224f53 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -114,6 +114,8 @@ PROGRAM fpakc !$OMP SINGLE tEMField = omp_get_wtime() - tEMField + CALL doAverage(t) + tStep = omp_get_wtime() - tStep !Output data diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index b697389..bbea577 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,7 +9,7 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart = 0 !Starting iteartion for average scheme + INTEGER:: tStart = 1 !Starting iteartion for average scheme TYPE(averageData), ALLOCATABLE:: mean(:) TYPE(averageData), ALLOCATABLE:: deviation(:) CONTAINS @@ -47,6 +47,8 @@ MODULE moduleAverage END DO ELSEIF (tAverage > 1) THEN + ALLOCATE(newAverage%output(1:nSpecies)) + !Normal average step DO n = 1, mesh%numNodes DO s = 1, nSpecies @@ -58,6 +60,8 @@ MODULE moduleAverage END DO + DEALLOCATE(newAverage%output) + END IF END SUBROUTINE updateAverage diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index de6cc65..3463f9e 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -75,6 +75,11 @@ MODULE moduleInput CALL readInject(config) CALL checkStatus(config, "readInject") + !Read average scheme + CALL verboseError('Reading average scheme...') + CALL readAverage(config) + CALL checkStatus(config, "readAverage") + !Read parallel parameters CALL verboseError('Reading Parallel configuration...') CALL readParallel(config) @@ -1180,6 +1185,37 @@ MODULE moduleInput END SUBROUTINE readInject + SUBROUTINE readAverage(config) + USE moduleAverage + USE moduleCaseParam, ONLY: tauMin + USE moduleMesh, ONLY: mesh + USE moduleSpecies, ONLY: nSpecies + IMPLICIT NONE + + TYPE(json_file), INTENT(inout):: config + LOGICAL:: found + REAL(8):: tStart + INTEGER:: n + + CALL config%info('average', found) + IF (found) THEN + useAverage = .TRUE. + CALL config%get('average.startTime', tStart, found) + + IF (found) THEN + averageScheme%tStart = INT(tStart / tauMin) + + END IF + ALLOCATE(averageScheme%mean(1:mesh%numNodes)) + DO n = 1, mesh%numNodes + ALLOCATE(averageScheme%mean(n)%output(1:nSpecies)) + + END DO + + END IF + + END SUBROUTINE readAverage + !Reads the velocity distribution functions for each inject SUBROUTINE readVelDistr(config, inj, object) USE moduleErrors From 5509332980ff6bcdb2e23325eafbda3ef895b415 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 15 Dec 2022 11:40:24 +0100 Subject: [PATCH 060/203] Output of standard deviation The output for the standard deviation (still Gmsh2 only) was added. Change in the output routines to reduce code repetition. --- src/modules/makefile | 2 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 295 +++++++++--------- src/modules/moduleAverage.f90 | 63 ++-- src/modules/moduleInput.f90 | 9 +- src/modules/moduleOutput.f90 | 60 +++- src/modules/moduleSolver.f90 | 19 +- 6 files changed, 256 insertions(+), 192 deletions(-) diff --git a/src/modules/makefile b/src/modules/makefile index d3931f4..f1545dc 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -7,7 +7,7 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ all: $(OBJS) -mesh.o: moduleCollisions.o moduleBoundary.o +mesh.o: moduleCollisions.o moduleBoundary.o moduleAverage.o $(MAKE) -C mesh all moduleCollisions.o: moduleList.o moduleMath.o moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 106480a..2dcb7f6 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -1,6 +1,84 @@ MODULE moduleMeshOutputGmsh2 CONTAINS + !Header for mesh format + SUBROUTINE writeGmsh2HeaderMesh(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$MeshFormat' + WRITE(fileID, "(A)") '2.2 0 8' + WRITE(fileID, "(A)") '$EndMeshFormat' + + END SUBROUTINE writeGmsh2HeaderMesh + + !Node data subroutines + !Header + SUBROUTINE writeGmsh2HeaderNodeData(fileID, title, iteration, time, dimensions, nNodes) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + CHARACTER(*), INTENT(in):: title + INTEGER, INTENT(in):: iteration, dimensions, nNodes + REAL(8), INTENT(in):: time + + + WRITE(fileID, "(A)") '$NodeData' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(A1, A, A1)") '"' , title , '"' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(ES20.6E3)") time + WRITE(fileID, "(I10)") 3 + WRITE(fileID, "(I10)") iteration + WRITE(fileID, "(I10)") dimensions + WRITE(fileID, "(I10)") nNodes + + END SUBROUTINE writeGmsh2HeaderNodeData + + !Footer + SUBROUTINE writeGmsh2FooterNodeData(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$EndNodeData' + + END SUBROUTINE writeGmsh2FooterNodeData + + !Element data subroutines + !Header + SUBROUTINE writeGmsh2HeaderElementData(fileID, title, iteration, time, dimensions, nVols) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + CHARACTER(*), INTENT(in):: title + INTEGER, INTENT(in):: iteration, dimensions, nVols + REAL(8), INTENT(in):: time + + + WRITE(fileID, "(A)") '$ElementData' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(A1, A, A1)") '"' , title , '"' + WRITE(fileID, "(I10)") 1 + WRITE(fileID, "(ES20.6E3)") time + WRITE(fileID, "(I10)") 3 + WRITE(fileID, "(I10)") iteration + WRITE(fileID, "(I10)") dimensions + WRITE(fileID, "(I10)") nVols + + END SUBROUTINE writeGmsh2HeaderElementData + + !Footer + SUBROUTINE writeGmsh2FooterElementData(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID, "(A)") '$EndElementData' + + END SUBROUTINE writeGmsh2FooterElementData + !Prints the scattered properties of particles into the nodes SUBROUTINE printOutputGmsh2(self, t) USE moduleMesh @@ -24,62 +102,33 @@ MODULE moduleMeshOutputGmsh2 fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + + CALL writeGmsh2HeaderMesh(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' density (m^-3)', t, time, 1, self%numNodes) DO n=1, self%numNodes CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) WRITE(60, "(I6,ES20.6E3)") n, output(n)%density END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 3 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' velocity (m s^-1)', t, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Pressure (Pa)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(60) + + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Temperature (K)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature END DO - WRITE(60, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(60) CLOSE (60) END DO @@ -103,6 +152,7 @@ MODULE moduleMeshOutputGmsh2 REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName CHARACTER (LEN=iterationDigits):: tstring + CHARACTER(:), ALLOCATABLE:: title SELECT TYPE(self) TYPE IS(meshParticles) @@ -123,25 +173,20 @@ MODULE moduleMeshOutputGmsh2 fileName='OUTPUT_' // tstring// '_Collisions.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' + + CALL writeGmsh2HeaderMesh(60) + DO k = 1, nCollPairs DO c = 1, interactionMatrix(k)%amount - WRITE(60, "(A)") '$ElementData' - WRITE(60, "(A)") '1' - WRITE(60, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c - WRITE(60, *) 1 - WRITE(60, *) time - WRITE(60, *) 3 - WRITE(60, *) t - WRITE(60, *) 1 - WRITE(60, *) self%numVols + WRITE(title, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numVols) DO n=1, self%numVols WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) END DO - WRITE(60, "(A)") '$EndElementData' + CALL writeGmsh2FooterElementData(60) + END DO + END DO CLOSE(60) @@ -175,50 +220,26 @@ MODULE moduleMeshOutputGmsh2 fileName='OUTPUT_' // tstring// '_EMField.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (20, file = path // folder // '/' // fileName) - WRITE(20, "(A)") '$MeshFormat' - WRITE(20, "(A)") '2.2 0 8' - WRITE(20, "(A)") '$EndMeshFormat' - WRITE(20, "(A)") '$NodeData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Potential (V)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 1 - WRITE(20, *) self%numNodes + + CALL writeGmsh2HeaderMesh(20) + + CALL writeGmsh2HeaderNodeData(20, 'Potential (V)', t, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%phi*Volt_ref END DO - WRITE(20, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(20) - WRITE(20, "(A)") '$ElementData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Electric Field (V m^-1)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 3 - WRITE(20, *) self%numVols + CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', t, time, 3, self%numVols) DO e=1, self%numVols WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref END DO - WRITE(20, "(A)") '$EndElementData' + CALL writeGmsh2FooterElementData(20) - WRITE(20, "(A)") '$NodeData' - WRITE(20, "(A)") '1' - WRITE(20, "(A)") '"Magnetic Field (T)"' - WRITE(20, *) 1 - WRITE(20, *) time - WRITE(20, *) 3 - WRITE(20, *) t - WRITE(20, *) 3 - WRITE(20, *) self%numNodes + CALL writeGmsh2HeaderNodeData(20, 'Magnetic Field (T)', t, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%B * B_ref END DO - WRITE(20, "(A)") '$EndNodeData' + CALL writeGmsh2FooterNodeData(20) CLOSE(20) @@ -237,70 +258,62 @@ MODULE moduleMeshOutputGmsh2 CLASS(meshParticles), INTENT(in):: self INTEGER:: n, i - TYPE(outputFormat):: output(1:self%numNodes) + TYPE(outputFormat), DIMENSION(1:self%numNodes):: outputMean, outputDeviation CHARACTER(:), ALLOCATABLE:: fileName + INTEGER:: fileMean=10, fileDeviation=20 DO i = 1, nSpecies - fileName= 'Average_mean_OUTPUT_' // species(i)%obj%name // '.msh' + fileName= 'Average_mean_' // species(i)%obj%name // '.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName - OPEN (60, file = path // folder // '/' // fileName) - WRITE(60, "(A)") '$MeshFormat' - WRITE(60, "(A)") '2.2 0 8' - WRITE(60, "(A)") '$EndMeshFormat' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' density (m^-3)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + OPEN (fileMean, file = path // folder // '/' // fileName) + + fileName= 'Average_deviation_' // species(i)%obj%name // '.msh' + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (filedeviation, file = path // folder // '/' // fileName) + + CALL writeGmsh2HeaderMesh(fileMean) + CALL writeGmsh2HeaderMesh(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' density, mean (m^-3)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' density, sd (m^-3)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - CALL calculateOutput(averageScheme%mean(n)%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) - WRITE(60, "(I6,ES20.6E3)") n, output(n)%density + CALL calculateOutput(averageScheme(n)%mean%output(i), outputMean(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(fileMean, "(I6,ES20.6E3)") n, outputMean(n)%density + CALL calculateOutput(averageScheme(n)%deviation%output(i), outputDeviation(n), self%nodes(n)%obj%v, species(i)%obj) + WRITE(fileDeviation, "(I6,ES20.6E3)") n, outputDeviation(n)%density END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' velocity (m s^-1)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 3 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' velocity, mean (m s^-1)', 0, 0.D0, 3, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' velocity, sd (m s^-1)', 0, 0.D0, 3, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%velocity + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%velocity END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' pressure (Pa)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' Pressure, mean (Pa)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' Pressure, sd (Pa)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%pressure + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%pressure END DO - WRITE(60, "(A)") '$EndNodeData' - WRITE(60, "(A)") '$NodeData' - WRITE(60, "(A)") '1' - WRITE(60, "(A)") '"' // species(i)%obj%name // ' temperature (K)"' - WRITE(60, *) 1 - WRITE(60, *) 0.D0 - WRITE(60, *) 3 - WRITE(60, *) 0 - WRITE(60, *) 1 - WRITE(60, *) self%numNodes + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CALL writeGmsh2HeaderNodeData(fileMean, species(i)%obj%name // ' Temperature, mean (K)', 0, 0.D0, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(fileDeviation, species(i)%obj%name // ' Temperature, sd (K)', 0, 0.D0, 1, self%numNodes) DO n=1, self%numNodes - WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature + WRITE(fileMean, "(I6,3(ES20.6E3))") n, outputMean(n)%temperature + WRITE(fileDeviation, "(I6,3(ES20.6E3))") n, outputDeviation(n)%temperature END DO - WRITE(60, "(A)") '$EndNodeData' - CLOSE (60) + CALL writeGmsh2FooterNodeData(fileMean) + CALL writeGmsh2FooterNodeData(fileDeviation) + + CLOSE (fileMean) + CLOSE(fileDeviation) END DO diff --git a/src/modules/moduleAverage.f90 b/src/modules/moduleAverage.f90 index bbea577..8d705d5 100644 --- a/src/modules/moduleAverage.f90 +++ b/src/modules/moduleAverage.f90 @@ -9,60 +9,63 @@ MODULE moduleAverage !Generic type for average scheme TYPE, PUBLIC:: averageGeneric - INTEGER:: tStart = 1 !Starting iteartion for average scheme - TYPE(averageData), ALLOCATABLE:: mean(:) - TYPE(averageData), ALLOCATABLE:: deviation(:) + TYPE(averageData):: mean + TYPE(averageData):: deviation CONTAINS + PROCEDURE, PASS:: firstAverage PROCEDURE, PASS:: updateAverage END TYPE averageGeneric - TYPE(averageGeneric):: averageScheme + TYPE(averageGeneric), ALLOCATABLE:: averageScheme(:) !Logical to determine if average scheme must be used LOGICAL:: useAverage = .FALSE. + INTEGER:: tAverageStart = 1 !Starting iteartion for average scheme CONTAINS - !Based on Welford's online algorithm - SUBROUTINE updateAverage(self, t) - USE moduleMesh - USE moduleSpecies + PURE SUBROUTINE firstAverage(self, output) USE moduleOutput IMPLICIT NONE CLASS(averageGeneric), INTENT(inout):: self - INTEGER, INTENT(in):: t - INTEGER:: tAverage - INTEGER:: n, s - TYPE(averageData):: newAverage + TYPE(outputNode), INTENT(in):: output(:) - tAverage = t - self%tStart + !Copy current data as mean + self%mean%output(:) = output(:) - IF (tAverage == 1) THEN - !First iteration in which average scheme is used - DO n = 1, mesh%numNodes - !Copy current data as mean - self%mean(n)%output(:) = mesh%nodes(n)%obj%output(:) + !Set deviation at 0 + self%deviation%output(:) = 0.D0 - END DO + END SUBROUTINE firstAverage - ELSEIF (tAverage > 1) THEN - ALLOCATE(newAverage%output(1:nSpecies)) - !Normal average step - DO n = 1, mesh%numNodes - DO s = 1, nSpecies - newAverage%output(s) = self%mean(n)%output(s) + (mesh%nodes(n)%obj%output(s) - self%mean(n)%output(s))/tAverage + !Based on Welford's online algorithm + SUBROUTINE updateAverage(self, output, tAverage) + USE moduleOutput + USE moduleSpecies, ONLY: nSpecies + IMPLICIT NONE - END DO + CLASS(averageGeneric), INTENT(inout):: self + TYPE(outputNode), INTENT(in):: output(:) + INTEGER, INTENT(in):: tAverage + TYPE(averageData):: newMean, newDeviation - self%mean(n)%output(:) = newAverage%output(:) + ALLOCATE(newMean%output(1:nSpecies)) + ALLOCATE(newDeviation%output(1:nSpecies)) - END DO + newMean%output(:) = self%mean%output(:) + (output(:) - self%mean%output(:))/tAverage - DEALLOCATE(newAverage%output) + newDeviation%output(:) = self%deviation%output(:) + ((output(:) - self%mean%output(:)) * & + (output(:) - newMean%output(:)) - & + self%deviation%output(:))/tAverage - END IF + self%mean%output(:) = newMean%output(:) + + self%deviation%output(:) = newDeviation%output(:) + + DEALLOCATE(newMean%output) + DEALLOCATE(newDeviation%output) END SUBROUTINE updateAverage diff --git a/src/modules/moduleInput.f90 b/src/modules/moduleInput.f90 index 3463f9e..348edf3 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/moduleInput.f90 @@ -1203,12 +1203,15 @@ MODULE moduleInput CALL config%get('average.startTime', tStart, found) IF (found) THEN - averageScheme%tStart = INT(tStart / tauMin) + tAverageStart = INT(tStart / tauMin) END IF - ALLOCATE(averageScheme%mean(1:mesh%numNodes)) + + ALLOCATE(averageScheme(1:mesh%numNodes)) + DO n = 1, mesh%numNodes - ALLOCATE(averageScheme%mean(n)%output(1:nSpecies)) + ALLOCATE(averageScheme(n)%mean%output(1:nSpecies)) + ALLOCATE(averageScheme(n)%deviation%output(1:nSpecies)) END DO diff --git a/src/modules/moduleOutput.f90 b/src/modules/moduleOutput.f90 index 9cb23a7..18fbb7f 100644 --- a/src/modules/moduleOutput.f90 +++ b/src/modules/moduleOutput.f90 @@ -6,14 +6,17 @@ MODULE moduleOutput TYPE, PUBLIC:: outputNode REAL(8):: den = 0.D0, mom(1:3) = 0.D0, tensorS(1:3,1:3) = 0.D0 CONTAINS - PROCEDURE, PASS(self), PRIVATE:: copyOutputNode - PROCEDURE, PASS(self), PRIVATE:: addOutputNode - PROCEDURE, PASS(self), PRIVATE:: subOutputNode - PROCEDURE, PASS(self), PRIVATE:: divOutputNode_int - GENERIC, PUBLIC :: ASSIGNMENT(=) => copyOutputNode - GENERIC, PUBLIC :: OPERATOR(+) => addOutputNode - GENERIC, PUBLIC :: OPERATOR(-) => subOutputNode - GENERIC, PUBLIC :: OPERATOR(/) => divOutputNode_int + PROCEDURE, PASS(self), PRIVATE:: outputNode_equal_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_equal_real + PROCEDURE, PASS(self), PRIVATE:: outputNode_add_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_sub_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_mul_outputNode + PROCEDURE, PASS(self), PRIVATE:: outputNode_div_int + GENERIC, PUBLIC :: ASSIGNMENT(=) => outputNode_equal_outputNode, outputNode_equal_real + GENERIC, PUBLIC :: OPERATOR(+) => outputNode_add_outputNode + GENERIC, PUBLIC :: OPERATOR(-) => outputNode_sub_outputNode + GENERIC, PUBLIC :: OPERATOR(*) => outputNode_mul_outputNode + GENERIC, PUBLIC :: OPERATOR(/) => outputNode_div_int END TYPE @@ -42,7 +45,7 @@ MODULE moduleOutput LOGICAL:: emOutput = .FALSE. CONTAINS - PURE SUBROUTINE copyOutputNode(self, from) + PURE SUBROUTINE outputNode_equal_outputNode(self, from) IMPLICIT NONE CLASS(outputNode), INTENT(inout):: self @@ -52,9 +55,21 @@ MODULE moduleOutput self%mom = from%mom self%tensorS = from%tensorS - END SUBROUTINE copyOutputNode + END SUBROUTINE outputNode_equal_outputNode - PURE FUNCTION addOutputNode(self, that) RESULT(total) + PURE ELEMENTAL SUBROUTINE outputNode_equal_real(self, from) + IMPLICIT NONE + + CLASS(outputNode), INTENT(inout):: self + REAL(8), INTENT(in):: from + + self%den = from + self%mom = from + self%tensorS = from + + END SUBROUTINE outputNode_equal_real + + PURE ELEMENTAL FUNCTION outputNode_add_outputNode(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -65,9 +80,9 @@ MODULE moduleOutput total%mom = self%mom + that%mom total%tensorS = self%tensorS + that%tensorS - END FUNCTION addOutputNode + END FUNCTION outputNode_add_outputNode - PURE FUNCTION subOutputNode(self, that) RESULT(total) + PURE ELEMENTAL FUNCTION outputNode_sub_outputNode(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -78,9 +93,22 @@ MODULE moduleOutput total%mom = self%mom - that%mom total%tensorS = self%tensorS - that%tensorS - END FUNCTION subOutputNode + END FUNCTION outputNode_sub_outputNode - PURE FUNCTION divOutputNode_int(self, that) RESULT(total) + PURE ELEMENTAL FUNCTION outputNode_mul_outputNode(self, that) RESULT(total) + IMPLICIT NONE + + CLASS(outputNode), INTENT(in):: self + CLASS(outputNode), INTENT(in):: that + TYPE(outputNode):: total + + total%den = self%den * that%den + total%mom = self%mom * that%mom + total%tensorS = self%tensorS * that%tensorS + + END FUNCTION outputNode_mul_outputNode + + PURE ELEMENTAL FUNCTION outputNode_div_int(self, that) RESULT(total) IMPLICIT NONE CLASS(outputNode), INTENT(in):: self @@ -91,7 +119,7 @@ MODULE moduleOutput total%mom = self%mom / REAL(that) total%tensorS = self%tensorS / REAL(that) - END FUNCTION divOutputNode_int + END FUNCTION outputNode_div_int SUBROUTINE calculateOutput(rawValues, formatValues, nodeVol, speciesIn) USE moduleConstParam diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index 4d0ec0d..be78420 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -828,12 +828,29 @@ MODULE moduleSolver SUBROUTINE doAverage(t) USE moduleAverage + USE moduleMesh IMPLICIT NONE INTEGER, INTENT(in):: t + INTEGER:: tAverage, n + IF (useAverage) THEN - CALL averageScheme%updateAverage(t) + tAverage = t - tAverageStart + + IF (tAverage == 1) THEN + !First iteration in which average scheme is used + DO n = 1, mesh%numNodes + CALL averageScheme(n)%firstAverage(mesh%nodes(n)%obj%output) + + END DO + ELSEIF (tAverage > 1) THEN + DO n = 1, mesh%numNodes + CALL averageScheme(n)%updateAverage(mesh%nodes(n)%obj%output, tAverage) + + END DO + + END IF END IF From cab07447b590e734567ba6e33db14ea187ef5873 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 16 Dec 2022 19:27:10 +0100 Subject: [PATCH 061/203] Averge scheme documented Documentation of the average scheme for species properties. --- doc/user-manual/bibliography.bib | 11 +++++++++++ doc/user-manual/fpakc_UserManual.pdf | Bin 174638 -> 181016 bytes doc/user-manual/fpakc_UserManual.tex | 28 +++++++++++++++++++++++++-- 3 files changed, 37 insertions(+), 2 deletions(-) diff --git a/doc/user-manual/bibliography.bib b/doc/user-manual/bibliography.bib index 0ef1811..878b7ee 100644 --- a/doc/user-manual/bibliography.bib +++ b/doc/user-manual/bibliography.bib @@ -51,4 +51,15 @@ howpublished = {\url{https://gmsh.info/}}, } +@Article{welford1962note, + author = {Welford, BP}, + journal = {Technometrics}, + title = {Note on a method for calculating corrected sums of squares and products}, + year = {1962}, + number = {3}, + pages = {419--420}, + volume = {4}, + publisher = {Taylor \& Francis}, +} + @Comment{jabref-meta: databaseType:bibtex;} diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index a84376fbfd25742aa1fd9c11953d8d7b7b8171ca..66aba8b627f80119f5f78f25fd22176c034d96bb 100644 GIT binary patch delta 125670 zcmZs?Q*@@!w)P#nW7~G}#I|kQcG5|n*h$B>ZQHh!j@>aj*7slg-D`jE*y|mm4(?G0 z^PW`)SIzp(t7@0w(!=26+t4_OnTZ`uY~c9#nB>eIEZwY#0ZGUO6u=QJS;yZJ$h{Am zw^EoZ9+sX@?hHB*F!7?aSp4Yx#g)fksawP1Xw7}SyVHymD#<3qXU+2ER-G_f3hG%mDO;7YiT9%>>loucAxA{VAb9hbr@b|Z%%QqW)8 zF5omds#*e(WK_|f5Nd>$g-%BiIiIJAuqjgS1qd)wnXoY{0@k-tdIM;hsCz}6y?ja{ z2xZo&#YUU}MkNSP?Ge;uUj_)P)H&1w8I`d?6L+{IkZAfN2Kykt&E}XNlG?B3jC@;0 z+VdS`hC@W8aD}(wuzc?~vQ)S;izF}Vc77&a-SvK($Qo_Z?At5px|4?0wj3LXg7qBy0HJPAw z|NTRm7JkD_;=l-oYN`|Opxv?>jxVip z!8OV(ZmXR%M)%mNzw+ltZHol-9Ba39vUroz%G3P^G0-^LCv$jf(OSV-yh@6iYVZRC z_1gn0M0Wg_4o;fQQHN%=VLq)y5*@YGFEgfMvzrVKyoP=%T3u`qhwv z4DOA)RkJ7dafcLQ4!4pS<216uO{FLWZV6XLlx0YeFscR5d6$%&hTMNeTSRjAJ;uZ5 zl!L9gN?I3M%%l||a1;N@xwgn<6(r@5|BVSmeN#&yT%v#_X@=~_pxcLrOxdE&w2N6G zU$*Z0E)7QaX#Q zK%$~)7)W=JMG7jULhp%juNmj4XYqXq4X^HmbXnsQ$U%rA-;w_V}{Zu$ZT zc?$V=O#K(xVe4rd7R@}XTggq`-4tcf!=gxVZm{<&K}$>#99QA==H=`Eb|!K3Lsi%vi7 z{Mokp=O9)Tef=**dAE@MzFpdOv)XT(H4+u7G{sYS6&t;@V>9z1TRk7g^7nUOflA>H zx!Wv(4O&``T9jZ{)fa4SSL77kmM^$xZ1aeG>DzRVUV^BNF@Cr^v3PDH0l)8Wxy}i5jw!qDwAy6}{Rtb;jM$ilc1dRvz>%Kg z6+%W#yf7t_bCHI!oXHrEnT36TvqMV}O)c&2Kfd*rys$aj-(JPU9cG?H>b+I0ed7?5pySp3xfoe{e@7;F0U}3BRHbj#f*2GCMf!wXb(-?E9OD!({!< zaKm?|@C3spVPWS2z?nOk{Y&>bIRE1S;NVI^ zDIf>ZsWH#9sWF2HQ|Dw)L7vcJ)0(+rxZsFzLn%o^mLW5K60^xd%JR#yk+GqL#(C>(yHQAd}Zu<%gFAS4~<+W@21Jt`#DN02x}qMEK{|u5K>o#`gb{ z1lNBj!Oi;bDNc02eB}bJwW0JjeUN!&b0Z6L?u@OQQ+cQ#NVX=5(n6bS zs$eVI@{^X`-)yI2;mXGA-2}x*Dg4P_h+hH^*j;0C6TL}O=~o#Q9NKMj#M%~2tM_g4 z>I>K>a(QujJ)Sx66y$CbW61Wb@Ahs9*ndY%TZJr0<#faXI`-OV5~Bk*_pt zuc=Oz%|*DX6Ab?29F|t^Gyz~juFn$ba0`TvT2NvO)TN_V^*zwHf6;^_FUd-iXI{!m z%+1;?d#}jx$#cW}8`5`lTU(347`YDCpj46}prRk@km|?SMnL2bASpW@Q;sJ7jBR1J zN~#(dJCJyVn4kiEHs(>^^D5^`?EvJ(LKI11*Z5gbBFc7=c&<#0nBwep*kU}ds{T-D zC*gI_e!42;RS>9vxp#`mr>|r8g$H^g<`mW}P@#)P?*^rW@;0$bRWoZpVlgD8%0Wd` z$WL)5x(9KwV_dQpLxIu0|3`iUZaSHZ$#||{SV3?R+XdSl2}aKU==rb3Jx0mjqor!8 z-+1Oce1$NC<2`b{N6{MaKGWsFafL2XdRHe*8EF+0ysf~a@UQ4?^BZqGDq9g|oA!%w z-{pJu*CTy-#U-(uO@%5Q7l7k|uRV+gP9`sBjEpx*Kc`@`bF!4+S9IZ|RHxMp`#hx# zh@8|m*PrXA7DO3Y+f0TrZ`WIykl4ym^_E^KqubxbMuewr zIjGEug*Lzw`mdi+b=XmkvH=EchdiAX5nD&SQJ(5*?D87~1hM=KV%(X(r-U$md{4RY zbG2O$fC)s(4lC9)see?nxKRwoiDD4zHqW4+lzky9ThYfxh8w8T1InKmp$?tbE?~#z zo~eJts|hSS$BOs^s3;g!)?s`N(O!7wKkfG}AU=SO;}h&0*m?VJj24I8N}x~W?(9dJ zI1b!iJ|;^7d8o56N3Q84K;^+WaBs)ZG5hJPkk`J}-e`zvL_xD0b6m<7&jOGRc!Bj3 zN97O?zOwo1BmnVG;mi0lR!3S+eDn?2d8xbKZqKda=sE@0SFvCrG|Tnq<2@9Oi@yo_ zUVVX*5nF7_8=ZdsN*$=iW5#0BXlM2k>jZ%!VvGT%vkl(Q?R%gtLZ@TPIZZFb z5v_NNN#+H=QpoZy%opmnkenkdDz4MjB1L|Lg^9zrMRMDY7W&}aC-B$>3JS{UN7lbB zgW`l3+R(vrX7dvilKm{bNDl`)hBV_YMEC|KsL6!0R%qz^Fk3YBnOIj3*9E#sh&DyS z3c-l*ECDy9|Ga;^-X70bx z8B!~@uAE*dA{TpY4o6;EjC)}C)@gYA{-AvKI^k(EdjG?$KswJN1(ZlFDuxxU1=T&* z(WZOSLO?eW9{CC1|FW7y6|wZ5Q2kn5szsm3^n6@8=vIjd^Ma=nmo=sZtpey|*S?Io zH1;R5sEri4s4;RtjcAn7mKy6YR4#ffWol=5mDNu3 zD6HBlda^1^hIOrW+xAN7eM@y0LB# z8+oZK?&HOa!o$fupkWEe0DHJO*XI(?@7U8{WnJ)qOt6>!Ec~mzA=2_+#3+V*_mQc0R)Hu z!QVslReH4gEX}ldSai;z?O(0J!bG%lIiik*QW(UJScMALfo_Xm=FO(pMa`pc5P7F<5Ccs~&D

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zS9E}aSX-vSwfym2!; zC(2gfT;q}f>Tb@1NW|Rc1J`i3H^>;KL2MSnxsu&La0g&z&&RmSPe0gyVhYAN)Ed&mY)47z=+VpE1DAZkZ~o{1)lgoTrlv)t Yq-CT;$9RA)8rN|iZQAr4(97fh0Pc^)TmS$7 diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index b41f809..e5c0d4f 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -1,4 +1,4 @@ -\documentclass[10pt,a4paper,oneside]{book} +\documentclass[10pt,a4paper,twoside]{book} \usepackage[latin1]{inputenc} \usepackage{amsmath} \usepackage{amsfonts} @@ -22,6 +22,7 @@ Author = {Jorge Gonzalez} } } +\usepackage[margin=1in]{geometry} % Reduces margins of the document % Allows breaking of URL in bibliography. \setcounter{biburllcpenalty}{7000} \setcounter{biburlucpenalty}{8000} @@ -260,6 +261,18 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Electromagnetic field} WIP. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Average scheme} + Particle-in-cell codes has an intrinsic statistical noise associated with them. + Although this can be reduced by increasing the number of particles, this also increases the CPU requirements of the case. + + It is quite common that most cases reach a quasi-steady state after a number of iterations and time-average results can be obtained after to improve analysis, plotting and restarting the case using these time-average results as new species backgrounds. + Although this is possible to do once the simulation is finished with post-processing tools, this is limited to the amount of iterations printed. + + \Gls{fpakc} implements a simple average scheme that, after a start time provided by the user, scores a mean and standard deviation of all the main species properties, and the electromagnetic field. + This scheme is based on the Welford's online algorithm~\cite{welford1962note}. + The averaged data is written in the same format as the input mesh at the end of the simulation. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Installation} @@ -642,7 +655,7 @@ make \item \textbf{initialTime}: Real. Units of $\unit{s}$. Initial simulation time. - If no value is provided, the initial time is set to $\unit[0]{s}$. + If no value is provided, the initial time is set to $\unit[0.0]{s}$. \item \textbf{pusher}: Character. Array dimension 'number of species'. Indicates the type of pusher used for each species: @@ -684,6 +697,17 @@ make File must be located at \textbf{output.path}. \end{itemize} \end{itemize} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{average} + This object determines the use of an average scheme. + If this object exists in the input file, average will be written at the end of the simulation. + Acceptable values are: + \begin{itemize} + \item \textbf{startTime}: Real. + Units in $\unit{s}$. + Simulation physical time in which average scheme will start to compute the mean and standard validation. + If no value is provided, the initial time is set to $\unit[0.0]{s}$. + \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{interactions}\label{ssec:input_interactions} This object determine the different interactions among species. From dd1fca3fee5dad0bf31e7a93ef333cd5da335aa8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 20 Dec 2022 15:51:43 +0100 Subject: [PATCH 062/203] Fix for node volume An issue in the node volume calculation in cylindrical coordinates was found. This was causing wrong conservation of current. Still to test with ALPHIE_Grid case. Still to check triangular element. Still to theck 1D radial geometry --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 15 +++++++++++++-- .../mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 | 10 ++++++---- 2 files changed, 19 insertions(+), 6 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 0a6b7f4..0ac01f3 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -249,7 +249,7 @@ MODULE moduleMesh2DCyl dr = self%r(2) - self%r(1) dz = self%z(2) - self%z(1) IF (dr /= 0.D0) THEN - r(2) = dr*DSQRT(rnd) + self%r(1) + r(2) = dr * DSQRT(rnd) + self%r(1) r(1) = dz * (r(2) - self%r(1))/dr + self%z(1) ELSE @@ -320,7 +320,18 @@ MODULE moduleMesh2DCyl fPsi = self%fPsi(xi) r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ - self%arNodes = fPsi*r*detJ + xi = (/-5.D-1, -5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(1) = fPsi(1)*r*detJ + xi = (/ 5.D-1, -5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(2) = fPsi(2)*r*detJ + xi = (/ 5.D-1, 5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(3) = fPsi(3)*r*detJ + xi = (/-5.D-1, 5.D-1, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 2dcb7f6..7eade3e 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -151,8 +151,9 @@ MODULE moduleMeshOutputGmsh2 INTEGER:: n REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName - CHARACTER (LEN=iterationDigits):: tstring + CHARACTER (LEN=iterationDigits):: tString CHARACTER(:), ALLOCATABLE:: title + CHARACTER (LEN=2):: cString SELECT TYPE(self) TYPE IS(meshParticles) @@ -168,9 +169,9 @@ MODULE moduleMeshOutputGmsh2 IF (collOutput) THEN time = DBLE(t)*tauMin*ti_ref - WRITE(tstring, iterationFormat) t + WRITE(tString, iterationFormat) t - fileName='OUTPUT_' // tstring// '_Collisions.msh' + fileName='OUTPUT_' // tString// '_Collisions.msh' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) @@ -178,7 +179,8 @@ MODULE moduleMeshOutputGmsh2 DO k = 1, nCollPairs DO c = 1, interactionMatrix(k)%amount - WRITE(title, "(5A,I2)") '"Pair ', interactionMatrix(k)%sp_i%name, '-', interactionMatrix(k)%sp_j%name, ' collision ', c + WRITE(cString, "(I2)") c + title = '"Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numVols) DO n=1, self%numVols WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) From e9c86b4678ba9447c0f7cab1f683f4273147e5ce Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 11:30:20 +0100 Subject: [PATCH 063/203] Modification of Weighting scheme The weighting scheme has been modified so that particles are splitted without modifying the weight. I have to look a bit more into this. --- src/modules/moduleSolver.f90 | 22 ++++++++-------------- 1 file changed, 8 insertions(+), 14 deletions(-) diff --git a/src/modules/moduleSolver.f90 b/src/modules/moduleSolver.f90 index be78420..d0b2d01 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/moduleSolver.f90 @@ -660,24 +660,18 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part CLASS(meshVol), POINTER, INTENT(in):: volOld CLASS(meshVol), POINTER, INTENT(inout):: volNew - REAL(8):: fractionVolume, fractionWeight - INTEGER:: nSplit + REAL(8):: fractionVolume, pSplit - !If particle has change cell, call Weighting scheme - IF (volOld%n /= volNew%n) THEN + !If particle changes volume to smaller cell + IF (volOld%volume > volNew%volume) THEN fractionVolume = volOld%volume/volNew%volume - part%weight = part%weight * fractionVolume + !Calculate probability of splitting particle + pSplit = 1.D0 - DEXP(-fractionVolume) - fractionWeight = part%weight / part%species%weight - - IF (fractionWeight >= 2.D0) THEN - nSplit = FLOOR(fractionWeight) - CALL splitParticle(part, nSplit, volNew) - - ELSEIF (part%weight < 1.D0) THEN - !Particle has lost statistical meaning and will be terminated - part%n_in = .FALSE. + IF (random() < pSplit THEN + !Split particle in two + CALL splitParticle(part, 2, volNew) END IF From a8bea6102f362b62d83fc323fc118d412e8e0329 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 11:41:12 +0100 Subject: [PATCH 064/203] Final commit for volume nodes 1D Rad is fixed. Still there might be an issue with the triangles in 2D Cyl. --- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 11 +++++++++-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 6 +++++- 2 files changed, 14 insertions(+), 3 deletions(-) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 57619ee..660a313 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -260,10 +260,17 @@ MODULE moduleMesh1DRad Xii = 0.D0 fPsi = self%fPsi(Xii) detJ = self%detJac(Xii) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) l = 2.D0*detJ - self%volume = r*l - self%arNodes = fPsi*r*l + self%volume = r*l + !Computes volume per node + xi = (/-5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(1) = fPsi(1)*r*l + xi = (/ 5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(xi),self%r) + self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 0ac01f3..c576c71 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -318,8 +318,10 @@ MODULE moduleMesh2DCyl xi = 0.D0 detJ = self%detJac(xi)*PI8 !4*2*pi fPsi = self%fPsi(xi) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ + self%volume = r*detJ + !Computes volume per node xi = (/-5.D-1, -5.D-1, 0.D0/) r = DOT_PRODUCT(self%fPsi(xi),self%r) self%arNodes(1) = fPsi(1)*r*detJ @@ -712,8 +714,10 @@ MODULE moduleMesh2DCyl xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(xi)*PI !2PI*1/2 fPsi = self%fPsi(xi) + !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ + !Computes volume per node self%arNodes = fPsi*r*detJ END SUBROUTINE areaTria From d9a18695647f4b84d3237ff05dbb39717f6320f8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 12:59:23 +0100 Subject: [PATCH 065/203] Reorganization of solver I started grouping similar modules in subfolders to ease the expansion process. --- src/makefile | 6 +- src/modules/makefile | 21 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 8 +- src/modules/mesh/makefile | 3 + src/modules/output/makefile | 7 + src/modules/{ => output}/moduleAverage.f90 | 0 src/modules/{ => output}/moduleOutput.f90 | 0 src/modules/solver/electromagnetic/makefile | 8 + .../{ => solver/electromagnetic}/moduleEM.f90 | 46 +++ src/modules/solver/makefile | 13 + src/modules/{ => solver}/moduleSolver.f90 | 285 +----------------- src/modules/solver/pusher/makefile | 4 + src/modules/solver/pusher/modulePusher.f90 | 237 +++++++++++++++ 13 files changed, 341 insertions(+), 297 deletions(-) create mode 100644 src/modules/output/makefile rename src/modules/{ => output}/moduleAverage.f90 (100%) rename src/modules/{ => output}/moduleOutput.f90 (100%) create mode 100644 src/modules/solver/electromagnetic/makefile rename src/modules/{ => solver/electromagnetic}/moduleEM.f90 (73%) create mode 100644 src/modules/solver/makefile rename src/modules/{ => solver}/moduleSolver.f90 (64%) create mode 100644 src/modules/solver/pusher/makefile create mode 100644 src/modules/solver/pusher/modulePusher.f90 diff --git a/src/makefile b/src/makefile index 24ad089..2a421f8 100644 --- a/src/makefile +++ b/src/makefile @@ -1,4 +1,4 @@ -OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/moduleCompTime.o $(OBJDIR)/moduleSolver.o \ +OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/moduleCompTime.o \ $(OBJDIR)/moduleSpecies.o $(OBJDIR)/moduleInject.o $(OBJDIR)/moduleInput.o \ $(OBJDIR)/moduleErrors.o $(OBJDIR)/moduleList.o $(OBJDIR)/moduleOutput.o \ $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ @@ -12,7 +12,9 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleMesh2DCart.o \ $(OBJDIR)/moduleMesh1DRad.o \ $(OBJDIR)/moduleMesh1DCart.o \ - $(OBJDIR)/moduleMesh0D.o + $(OBJDIR)/moduleMesh0D.o \ + $(OBJDIR)/moduleSolver.o \ + $(OBJDIR)/modulePusher.o all: $(OUTPUT) diff --git a/src/modules/makefile b/src/modules/makefile index f1545dc..5b6aa11 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -1,19 +1,24 @@ OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ - moduleOutput.o moduleInput.o moduleSolver.o \ + output.o moduleInput.o solver.o \ moduleCollisions.o moduleTable.o moduleParallel.o \ - moduleEM.o moduleRandom.o moduleMath.o \ - moduleProbe.o + moduleRandom.o moduleMath.o moduleProbe.o all: $(OBJS) -mesh.o: moduleCollisions.o moduleBoundary.o moduleAverage.o +output.o: moduleMath.o moduleRefParam.o + $(MAKE) -C output all + +mesh.o: moduleCollisions.o moduleBoundary.o output.o $(MAKE) -C mesh all +solver.o: moduleSpecies.o moduleProbe.o moduleRandom.o output.o mesh.o + $(MAKE) -C solver all + moduleCollisions.o: moduleList.o moduleMath.o moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInput.o: moduleParallel.o moduleSolver.o moduleInject.o moduleInput.f90 +moduleInput.o: moduleParallel.o solver.o moduleInject.o moduleInput.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleInject.o: moduleInject.f90 @@ -22,12 +27,6 @@ moduleInject.o: moduleInject.f90 moduleList.o: moduleConstParam.o moduleErrors.o moduleCaseParam.o moduleSpecies.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleOutput.o: moduleMath.o moduleRefParam.o moduleOutput.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleSolver.o: moduleProbe.o moduleEM.o moduleAverage.o moduleSolver.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - moduleProbe.o: mesh.o moduleProbe.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 660a313..b8edfdd 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -265,11 +265,11 @@ MODULE moduleMesh1DRad l = 2.D0*detJ self%volume = r*l !Computes volume per node - xi = (/-5.D-1, 0.D0, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + Xii = (/-5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(Xii),self%r) self%arNodes(1) = fPsi(1)*r*l - xi = (/ 5.D-1, 0.D0, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + Xii = (/ 5.D-1, 0.D0, 0.D0/) + r = DOT_PRODUCT(self%fPsi(Xii),self%r) self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad diff --git a/src/modules/mesh/makefile b/src/modules/mesh/makefile index a013878..7c66c3b 100644 --- a/src/modules/mesh/makefile +++ b/src/modules/mesh/makefile @@ -26,3 +26,6 @@ moduleMeshBoundary.o: moduleMesh.o moduleMeshBoundary.f90 inout.o: 3DCart.o 2DCyl.o 2DCart.o 1DRad.o 1DCart.o 0D.o $(MAKE) -C inout all + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/output/makefile b/src/modules/output/makefile new file mode 100644 index 0000000..df42742 --- /dev/null +++ b/src/modules/output/makefile @@ -0,0 +1,7 @@ +all: moduleAverage.o moduleOutput.o + +moduleAverage.o: moduleOutput.o moduleAverage.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/moduleAverage.f90 b/src/modules/output/moduleAverage.f90 similarity index 100% rename from src/modules/moduleAverage.f90 rename to src/modules/output/moduleAverage.f90 diff --git a/src/modules/moduleOutput.f90 b/src/modules/output/moduleOutput.f90 similarity index 100% rename from src/modules/moduleOutput.f90 rename to src/modules/output/moduleOutput.f90 diff --git a/src/modules/solver/electromagnetic/makefile b/src/modules/solver/electromagnetic/makefile new file mode 100644 index 0000000..e4dd2fa --- /dev/null +++ b/src/modules/solver/electromagnetic/makefile @@ -0,0 +1,8 @@ +all: moduleEM.o + +moduleEM.o: moduleEM.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ + diff --git a/src/modules/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 similarity index 73% rename from src/modules/moduleEM.f90 rename to src/modules/solver/electromagnetic/moduleEM.f90 index ce91858..ae73ebc 100644 --- a/src/modules/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -19,6 +19,7 @@ MODULE moduleEM REAL(8), ALLOCATABLE:: qSpecies(:) CONTAINS + !Apply boundary conditions to the K matrix for Poisson's equation SUBROUTINE apply(self, edge) USE moduleMesh IMPLICIT NONE @@ -79,6 +80,7 @@ MODULE moduleEM END FUNCTION gatherMagnField + !Assemble the source vector based on the charge density to solve Poisson's equation SUBROUTINE assembleSourceVector(vectorF) USE moduleMesh USE moduleRefParam @@ -142,4 +144,48 @@ MODULE moduleEM END SUBROUTINE assembleSourceVector + !Solving the Poisson equation for electrostatic potential + SUBROUTINE solveElecField() + USE moduleMesh + USE moduleErrors + IMPLICIT NONE + + INTEGER, SAVE:: INFO + INTEGER:: n + REAL(8), ALLOCATABLE, SAVE:: tempF(:) + EXTERNAL:: dgetrs + + !$OMP SINGLE + ALLOCATE(tempF(1:mesh%numNodes)) + !$OMP END SINGLE + + CALL assembleSourceVector(tempF) + + !$OMP SINGLE + CALL dgetrs('N', mesh%numNodes, 1, mesh%K, mesh%numNodes, & + mesh%IPIV, tempF, mesh%numNodes, info) + !$OMP END SINGLE + + IF (info == 0) THEN + !Suscessful resolution of Poission equation + !$OMP DO + DO n = 1, mesh%numNodes + mesh%nodes(n)%obj%emData%phi = tempF(n) + + END DO + !$OMP END DO + + ELSE + !$OMP SINGLE + CALL criticalError('Poisson equation failed', 'solveElecField') + !$OMP END SINGLE + + END IF + + !$OMP SINGLE + DEALLOCATE(tempF) + !$OMP END SINGLE + + END SUBROUTINE solveElecField + END MODULE moduleEM diff --git a/src/modules/solver/makefile b/src/modules/solver/makefile new file mode 100644 index 0000000..d50bdc8 --- /dev/null +++ b/src/modules/solver/makefile @@ -0,0 +1,13 @@ +all: moduleSolver.o electromagnetic.o pusher.o + +electromagnetic.o: + $(MAKE) -C electromagnetic all + +pusher.o: + $(MAKE) -C pusher all + +moduleSolver.o: electromagnetic.o pusher.o moduleSolver.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 similarity index 64% rename from src/modules/moduleSolver.f90 rename to src/modules/solver/moduleSolver.f90 index d0b2d01..58a7a71 100644 --- a/src/modules/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -62,6 +62,7 @@ MODULE moduleSolver !Init Pusher SUBROUTINE initPusher(self, pusherType, tau, tauSp) USE moduleErrors + USE modulePusher USE moduleMesh, ONLY: mesh IMPLICIT NONE @@ -128,6 +129,7 @@ MODULE moduleSolver END SUBROUTINE initPusher SUBROUTINE initEM(self, EMType) + USE moduleEM IMPLICIT NONE CLASS(solverGeneric), INTENT(inout):: self @@ -184,239 +186,6 @@ MODULE moduleSolver END SUBROUTINE doPushes - !Push neutral particles in cartesian coordinates - PURE SUBROUTINE pushCartNeutral(part, tauIn) - USE moduleSPecies - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - - part%r = part%r + part%v*tauIn - - END SUBROUTINE pushCartNeutral - - PURE SUBROUTINE pushCartElectrostatic(part, tauIn) - USE moduleSPecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - REAL(8):: qmEFt(1:3) - - !Get the electric field at particle position - qmEFt = part%species%qm*gatherElecField(part)*tauIn - - !Update velocity - part%v = part%v + qmEFt - - !Update position - part%r = part%r + part%v*tauIn - - END SUBROUTINE pushCartElectrostatic - - PURE SUBROUTINE pushCartElectromagnetic(part, tauIn) - USE moduleSPecies - USE moduleEM - USE moduleMath - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - REAL(8):: tauInHalf - REAL(8):: qmEFt(1:3) - REAL(8):: B(1:3), BNorm - REAL(8):: fn - REAL(8):: v_minus(1:3), v_prime(1:3), v_plus(1:3) - - tauInHalf = tauIn *0.5D0 - !Half of the force o f the electric field - qmEFt = part%species%qm*gatherElecField(part)*tauInHalf - - !Half step for electrostatic - v_minus = part%v + qmEFt - - !Full step rotation - B = gatherMagnField(part) - BNorm = NORM2(B) - IF (BNorm > 0.D0) THEN - fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm - v_prime = v_minus + fn * crossProduct(v_minus, B) - v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) - - END IF - - !Half step for electrostatic - part%v = v_plus + qmEFt - - !Update position - part%r = part%r + part%v*tauIn - - END SUBROUTINE pushCartElectromagnetic - - !Push one particle. Boris pusher for 2D Cyl Neutral particle - PURE SUBROUTINE push2DCylNeutral(part, tauIn) - USE moduleSpecies - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - TYPE(particle):: part_temp - REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha - REAL(8):: v_p_oh_star(2:3) - - part_temp = part - !z - part_temp%v(1) = part%v(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - !r,theta - v_p_oh_star(2) = part%v(2) - x_new = part%r(2) + v_p_oh_star(2)*tauIn - v_p_oh_star(3) = part%v(3) - y_new = v_p_oh_star(3)*tauIn - r = DSQRT(x_new**2+y_new**2) - part_temp%r(2) = r - IF (r > 0.D0) THEN - sin_alpha = y_new/r - cos_alpha = x_new/r - ELSE - sin_alpha = 0.D0 - cos_alpha = 1.D0 - END IF - part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) - part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - - !Copy temporal particle to particle - part=part_temp - - END SUBROUTINE push2DCylNeutral - - !Push one particle. Boris pusher for 2D Cyl Electrostatic particle - PURE SUBROUTINE push2DCylElectrostatic(part, tauIn) - USE moduleSpecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - REAL(8):: v_p_oh_star(2:3) - TYPE(particle):: part_temp - REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha - REAL(8):: qmEFt(1:3)!charge*tauIn*EF/mass - - part_temp = part - !Get electric field at particle position - qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauIn - !z - part_temp%v(1) = part%v(1) + qmEFt(1) - part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn - !r,theta - v_p_oh_star(2) = part%v(2) + qmEFt(2) - x_new = part%r(2) + v_p_oh_star(2)*tauIn - v_p_oh_star(3) = part%v(3) + qmEFt(3) - y_new = v_p_oh_star(3)*tauIn - r = DSQRT(x_new**2+y_new**2) - part_temp%r(2) = r - IF (r > 0.D0) THEN - sin_alpha = y_new/r - cos_alpha = x_new/r - ELSE - sin_alpha = 0.D0 - cos_alpha = 1.D0 - END IF - part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) - part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) - - !Copy temporal particle to particle - part=part_temp - - END SUBROUTINE push2DCylElectrostatic - - !Push one particle. Boris pusher for 1D Radial Neutral particle - PURE SUBROUTINE push1DRadNeutral(part, tauIn) - USE moduleSpecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - REAL(8):: v_p_oh_star(1:2) - TYPE(particle):: part_temp - REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha - - part_temp = part - !r,theta - v_p_oh_star(1) = part%v(1) - x_new = part%r(1) + v_p_oh_star(1)*tauIn - v_p_oh_star(2) = part%v(2) - y_new = v_p_oh_star(2)*tauIn - r = DSQRT(x_new**2+y_new**2) - part_temp%r(1) = r - IF (r > 0.D0) THEN - sin_alpha = y_new/r - cos_alpha = x_new/r - ELSE - sin_alpha = 0.D0 - cos_alpha = 1.D0 - END IF - part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) - part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - - !Copy temporal particle to particle - part=part_temp - - END SUBROUTINE push1DRadNeutral - - !Push one particle. Boris pusher for 1D Radial Electrostatic particle - PURE SUBROUTINE push1DRadElectrostatic(part, tauIn) - USE moduleSpecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - REAL(8):: v_p_oh_star(1:2) - TYPE(particle):: part_temp - REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha - REAL(8):: qmEFt(1:3)!charge*tauIn*EF/mass - - part_temp = part - !Get electric field at particle position - qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauMin - !r,theta - v_p_oh_star(1) = part%v(1) + qmEFt(1) - x_new = part%r(1) + v_p_oh_star(1)*tauIn - v_p_oh_star(2) = part%v(2) + qmEFt(2) - y_new = v_p_oh_star(2)*tauIn - r = DSQRT(x_new**2+y_new**2) - part_temp%r(1) = r - IF (r > 0.D0) THEN - sin_alpha = y_new/r - cos_alpha = x_new/r - ELSE - sin_alpha = 0.D0 - cos_alpha = 1.D0 - END IF - part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) - part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) - - !Copy temporal particle to particle - part=part_temp - - END SUBROUTINE push1DRadElectrostatic - - !Dummy pusher for 0D geometry - PURE SUBROUTINE push0D(part, tauIn) - USE moduleSpecies - USE moduleEM - IMPLICIT NONE - - TYPE(particle), INTENT(inout):: part - REAL(8), INTENT(in):: tauIn - - END SUBROUTINE push0D - !Takes the particles from a list and put them into an array !nStart indicates the last fill index in the array SUBROUTINE resetList(partList, partArray, nStart) @@ -606,55 +375,11 @@ MODULE moduleSolver END SUBROUTINE doEMField - !Solving the Poisson equation for electrostatic potential - SUBROUTINE solveElecField() - USE moduleEM - USE moduleMesh - USE moduleErrors - IMPLICIT NONE - - INTEGER, SAVE:: INFO - INTEGER:: n - REAL(8), ALLOCATABLE, SAVE:: tempF(:) - EXTERNAL:: dgetrs - - !$OMP SINGLE - ALLOCATE(tempF(1:mesh%numNodes)) - !$OMP END SINGLE - - CALL assembleSourceVector(tempF) - - !$OMP SINGLE - CALL dgetrs('N', mesh%numNodes, 1, mesh%K, mesh%numNodes, & - mesh%IPIV, tempF, mesh%numNodes, info) - !$OMP END SINGLE - - IF (info == 0) THEN - !Suscessful resolution of Poission equation - !$OMP DO - DO n = 1, mesh%numNodes - mesh%nodes(n)%obj%emData%phi = tempF(n) - - END DO - !$OMP END DO - - ELSE - !$OMP SINGLE - CALL criticalError('Poisson equation failed', 'solveElecField') - !$OMP END SINGLE - - END IF - - !$OMP SINGLE - DEALLOCATE(tempF) - !$OMP END SINGLE - - END SUBROUTINE solveElecField - - !Modify particle weight as a function of cell volume and splits particle + !Split particles as a function of cell volume and splits particle SUBROUTINE volumeWScheme(part, volOld, volNew) USE moduleSpecies USE moduleMesh + USE moduleRandom IMPLICIT NONE TYPE(particle), INTENT(inout):: part @@ -669,7 +394,7 @@ MODULE moduleSolver !Calculate probability of splitting particle pSplit = 1.D0 - DEXP(-fractionVolume) - IF (random() < pSplit THEN + IF (random() < pSplit) THEN !Split particle in two CALL splitParticle(part, 2, volNew) diff --git a/src/modules/solver/pusher/makefile b/src/modules/solver/pusher/makefile new file mode 100644 index 0000000..bf574d5 --- /dev/null +++ b/src/modules/solver/pusher/makefile @@ -0,0 +1,4 @@ +all: modulePusher.o + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/solver/pusher/modulePusher.f90 b/src/modules/solver/pusher/modulePusher.f90 new file mode 100644 index 0000000..69fcaab --- /dev/null +++ b/src/modules/solver/pusher/modulePusher.f90 @@ -0,0 +1,237 @@ +MODULE modulePusher + + CONTAINS + !Push neutral particles in cartesian coordinates + PURE SUBROUTINE pushCartNeutral(part, tauIn) + USE moduleSpecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + + part%r = part%r + part%v*tauIn + + END SUBROUTINE pushCartNeutral + + PURE SUBROUTINE pushCartElectrostatic(part, tauIn) + USE moduleSPecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: qmEFt(1:3) + + !Get the electric field at particle position + qmEFt = part%species%qm*gatherElecField(part)*tauIn + + !Update velocity + part%v = part%v + qmEFt + + !Update position + part%r = part%r + part%v*tauIn + + END SUBROUTINE pushCartElectrostatic + + PURE SUBROUTINE pushCartElectromagnetic(part, tauIn) + USE moduleSPecies + USE moduleEM + USE moduleMath + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: tauInHalf + REAL(8):: qmEFt(1:3) + REAL(8):: B(1:3), BNorm + REAL(8):: fn + REAL(8):: v_minus(1:3), v_prime(1:3), v_plus(1:3) + + tauInHalf = tauIn *0.5D0 + !Half of the force o f the electric field + qmEFt = part%species%qm*gatherElecField(part)*tauInHalf + + !Half step for electrostatic + v_minus = part%v + qmEFt + + !Full step rotation + B = gatherMagnField(part) + BNorm = NORM2(B) + IF (BNorm > 0.D0) THEN + fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm + v_prime = v_minus + fn * crossProduct(v_minus, B) + v_plus = v_minus + 2.D0 * fn / (1.D0 + fn**2 * B**2)*crossProduct(v_prime, B) + + END IF + + !Half step for electrostatic + part%v = v_plus + qmEFt + + !Update position + part%r = part%r + part%v*tauIn + + END SUBROUTINE pushCartElectromagnetic + + !Push one particle. Boris pusher for 2D Cyl Neutral particle + PURE SUBROUTINE push2DCylNeutral(part, tauIn) + USE moduleSpecies + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + TYPE(particle):: part_temp + REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha + REAL(8):: v_p_oh_star(2:3) + + part_temp = part + !z + part_temp%v(1) = part%v(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + !r,theta + v_p_oh_star(2) = part%v(2) + x_new = part%r(2) + v_p_oh_star(2)*tauIn + v_p_oh_star(3) = part%v(3) + y_new = v_p_oh_star(3)*tauIn + r = DSQRT(x_new**2+y_new**2) + part_temp%r(2) = r + IF (r > 0.D0) THEN + sin_alpha = y_new/r + cos_alpha = x_new/r + ELSE + sin_alpha = 0.D0 + cos_alpha = 1.D0 + END IF + part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) + part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) + + !Copy temporal particle to particle + part=part_temp + + END SUBROUTINE push2DCylNeutral + + !Push one particle. Boris pusher for 2D Cyl Electrostatic particle + PURE SUBROUTINE push2DCylElectrostatic(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: v_p_oh_star(2:3) + TYPE(particle):: part_temp + REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha + REAL(8):: qmEFt(1:3)!charge*tauIn*EF/mass + + part_temp = part + !Get electric field at particle position + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauIn + !z + part_temp%v(1) = part%v(1) + qmEFt(1) + part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn + !r,theta + v_p_oh_star(2) = part%v(2) + qmEFt(2) + x_new = part%r(2) + v_p_oh_star(2)*tauIn + v_p_oh_star(3) = part%v(3) + qmEFt(3) + y_new = v_p_oh_star(3)*tauIn + r = DSQRT(x_new**2+y_new**2) + part_temp%r(2) = r + IF (r > 0.D0) THEN + sin_alpha = y_new/r + cos_alpha = x_new/r + ELSE + sin_alpha = 0.D0 + cos_alpha = 1.D0 + END IF + part_temp%v(2) = cos_alpha*v_p_oh_star(2)+sin_alpha*v_p_oh_star(3) + part_temp%v(3) = -sin_alpha*v_p_oh_star(2)+cos_alpha*v_p_oh_star(3) + + !Copy temporal particle to particle + part=part_temp + + END SUBROUTINE push2DCylElectrostatic + + !Push one particle. Boris pusher for 1D Radial Neutral particle + PURE SUBROUTINE push1DRadNeutral(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: v_p_oh_star(1:2) + TYPE(particle):: part_temp + REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha + + part_temp = part + !r,theta + v_p_oh_star(1) = part%v(1) + x_new = part%r(1) + v_p_oh_star(1)*tauIn + v_p_oh_star(2) = part%v(2) + y_new = v_p_oh_star(2)*tauIn + r = DSQRT(x_new**2+y_new**2) + part_temp%r(1) = r + IF (r > 0.D0) THEN + sin_alpha = y_new/r + cos_alpha = x_new/r + ELSE + sin_alpha = 0.D0 + cos_alpha = 1.D0 + END IF + part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) + part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) + + !Copy temporal particle to particle + part=part_temp + + END SUBROUTINE push1DRadNeutral + + !Push one particle. Boris pusher for 1D Radial Electrostatic particle + PURE SUBROUTINE push1DRadElectrostatic(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + REAL(8):: v_p_oh_star(1:2) + TYPE(particle):: part_temp + REAL(8):: x_new, y_new, r, sin_alpha, cos_alpha + REAL(8):: qmEFt(1:3)!charge*tauIn*EF/mass + + part_temp = part + !Get electric field at particle position + qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauMin + !r,theta + v_p_oh_star(1) = part%v(1) + qmEFt(1) + x_new = part%r(1) + v_p_oh_star(1)*tauIn + v_p_oh_star(2) = part%v(2) + qmEFt(2) + y_new = v_p_oh_star(2)*tauIn + r = DSQRT(x_new**2+y_new**2) + part_temp%r(1) = r + IF (r > 0.D0) THEN + sin_alpha = y_new/r + cos_alpha = x_new/r + ELSE + sin_alpha = 0.D0 + cos_alpha = 1.D0 + END IF + part_temp%v(1) = cos_alpha*v_p_oh_star(1)+sin_alpha*v_p_oh_star(2) + part_temp%v(2) = -sin_alpha*v_p_oh_star(1)+cos_alpha*v_p_oh_star(2) + + !Copy temporal particle to particle + part=part_temp + + END SUBROUTINE push1DRadElectrostatic + + !Dummy pusher for 0D geometry + PURE SUBROUTINE push0D(part, tauIn) + USE moduleSpecies + USE moduleEM + IMPLICIT NONE + + TYPE(particle), INTENT(inout):: part + REAL(8), INTENT(in):: tauIn + + END SUBROUTINE push0D + +END MODULE modulePusher From 9484502d0befa738a242ba2fdcf0828f63104c92 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 24 Dec 2022 13:26:10 +0100 Subject: [PATCH 066/203] Most of modules organized Most of the modules are organized in subfolders. Maybe some big re-organization is needed in the future, but for now I am happy. --- src/modules/common/makefile | 11 +++++++ src/modules/{ => common}/moduleCaseParam.f90 | 0 src/modules/{ => common}/moduleCompTime.f90 | 4 +++ src/modules/{ => common}/moduleConstParam.f90 | 0 src/modules/{ => common}/moduleErrors.f90 | 0 src/modules/{ => common}/moduleMath.f90 | 0 src/modules/{ => common}/moduleParallel.f90 | 0 src/modules/{ => common}/moduleRandom.f90 | 0 src/modules/{ => common}/moduleRefParam.f90 | 0 src/modules/{ => common}/moduleTable.f90 | 0 src/modules/init/makefile | 5 +++ src/modules/{ => init}/moduleInput.f90 | 1 - src/modules/makefile | 31 ++++++++++--------- 13 files changed, 37 insertions(+), 15 deletions(-) create mode 100644 src/modules/common/makefile rename src/modules/{ => common}/moduleCaseParam.f90 (100%) rename src/modules/{ => common}/moduleCompTime.f90 (91%) rename src/modules/{ => common}/moduleConstParam.f90 (100%) rename src/modules/{ => common}/moduleErrors.f90 (100%) rename src/modules/{ => common}/moduleMath.f90 (100%) rename src/modules/{ => common}/moduleParallel.f90 (100%) rename src/modules/{ => common}/moduleRandom.f90 (100%) rename src/modules/{ => common}/moduleRefParam.f90 (100%) rename src/modules/{ => common}/moduleTable.f90 (100%) create mode 100644 src/modules/init/makefile rename src/modules/{ => init}/moduleInput.f90 (99%) diff --git a/src/modules/common/makefile b/src/modules/common/makefile new file mode 100644 index 0000000..a57871b --- /dev/null +++ b/src/modules/common/makefile @@ -0,0 +1,11 @@ +OBJS = moduleCompTime.o moduleCaseParam.o moduleConstParam.o \ + moduleErrors.o moduleMath.o moduleParallel.o \ + moduleRandom.o moduleRefParam.o moduleTable.o + +all: $(OBJS) + +moduleTable.o: moduleErrors.o moduleTable.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/moduleCaseParam.f90 b/src/modules/common/moduleCaseParam.f90 similarity index 100% rename from src/modules/moduleCaseParam.f90 rename to src/modules/common/moduleCaseParam.f90 diff --git a/src/modules/moduleCompTime.f90 b/src/modules/common/moduleCompTime.f90 similarity index 91% rename from src/modules/moduleCompTime.f90 rename to src/modules/common/moduleCompTime.f90 index d0a6755..46310f0 100644 --- a/src/modules/moduleCompTime.f90 +++ b/src/modules/common/moduleCompTime.f90 @@ -1,5 +1,9 @@ !Information to calculate computation time MODULE moduleCompTime + IMPLICIT NONE + + PUBLIC + REAL(8):: tStep = 0.D0 REAL(8):: tPush = 0.D0 REAL(8):: tReset = 0.D0 diff --git a/src/modules/moduleConstParam.f90 b/src/modules/common/moduleConstParam.f90 similarity index 100% rename from src/modules/moduleConstParam.f90 rename to src/modules/common/moduleConstParam.f90 diff --git a/src/modules/moduleErrors.f90 b/src/modules/common/moduleErrors.f90 similarity index 100% rename from src/modules/moduleErrors.f90 rename to src/modules/common/moduleErrors.f90 diff --git a/src/modules/moduleMath.f90 b/src/modules/common/moduleMath.f90 similarity index 100% rename from src/modules/moduleMath.f90 rename to src/modules/common/moduleMath.f90 diff --git a/src/modules/moduleParallel.f90 b/src/modules/common/moduleParallel.f90 similarity index 100% rename from src/modules/moduleParallel.f90 rename to src/modules/common/moduleParallel.f90 diff --git a/src/modules/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 similarity index 100% rename from src/modules/moduleRandom.f90 rename to src/modules/common/moduleRandom.f90 diff --git a/src/modules/moduleRefParam.f90 b/src/modules/common/moduleRefParam.f90 similarity index 100% rename from src/modules/moduleRefParam.f90 rename to src/modules/common/moduleRefParam.f90 diff --git a/src/modules/moduleTable.f90 b/src/modules/common/moduleTable.f90 similarity index 100% rename from src/modules/moduleTable.f90 rename to src/modules/common/moduleTable.f90 diff --git a/src/modules/init/makefile b/src/modules/init/makefile new file mode 100644 index 0000000..c035f7e --- /dev/null +++ b/src/modules/init/makefile @@ -0,0 +1,5 @@ +all: moduleInput.o + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ + diff --git a/src/modules/moduleInput.f90 b/src/modules/init/moduleInput.f90 similarity index 99% rename from src/modules/moduleInput.f90 rename to src/modules/init/moduleInput.f90 index 348edf3..2523b3b 100644 --- a/src/modules/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -9,7 +9,6 @@ MODULE moduleInput USE json_module USE moduleErrors USE moduleBoundary - USE moduleInject USE moduleOutput USE moduleMesh IMPLICIT NONE diff --git a/src/modules/makefile b/src/modules/makefile index 5b6aa11..254d015 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -1,37 +1,40 @@ - -OBJS = moduleCaseParam.o moduleCompTime.o moduleList.o \ - output.o moduleInput.o solver.o \ - moduleCollisions.o moduleTable.o moduleParallel.o \ - moduleRandom.o moduleMath.o moduleProbe.o +OBJS = common.o output.o mesh.o solver.o init.o \ + moduleBoundary.o moduleCollisions.o moduleInject.o \ + moduleList.o moduleProbe.o \ + moduleSpecies.o all: $(OBJS) -output.o: moduleMath.o moduleRefParam.o +common.o: + $(MAKE) -C common all + +output.o: moduleSpecies.o common.o $(MAKE) -C output all mesh.o: moduleCollisions.o moduleBoundary.o output.o $(MAKE) -C mesh all -solver.o: moduleSpecies.o moduleProbe.o moduleRandom.o output.o mesh.o +solver.o: moduleSpecies.o moduleProbe.o common.o output.o mesh.o $(MAKE) -C solver all -moduleCollisions.o: moduleList.o moduleMath.o moduleRandom.o moduleTable.o moduleSpecies.o moduleRefParam.o moduleConstParam.o moduleCollisions.f90 +init.o: common.o solver.o moduleInject.o + $(MAKE) -C init all + +moduleBoundary.o: common.o moduleBoundary.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInput.o: moduleParallel.o solver.o moduleInject.o moduleInput.f90 +moduleCollisions.o: moduleList.o moduleSpecies.o common.o moduleCollisions.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleInject.o: moduleInject.f90 - $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ - -moduleList.o: moduleConstParam.o moduleErrors.o moduleCaseParam.o moduleSpecies.o moduleList.f90 +moduleList.o: common.o moduleSpecies.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ moduleProbe.o: mesh.o moduleProbe.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ -moduleBoundary.o: moduleTable.o moduleBoundary.f90 +moduleSpecies.o: common.o moduleSpecies.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ %.o: %.f90 $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ + From 905d3f94a58143359ae118b85c405463c25ab056 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 29 Dec 2022 19:32:38 +0100 Subject: [PATCH 067/203] Trying to fix weighting scheme Now particles can be split to increase statistics when they enter a smaller cell. However, this only has an effect for collisions. 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zYJx-%z&|Ksu!4XI4VqgB=7PHzct(&27<`UZ;1lRH4<5wBiVdI<;lhC2feHN& z2JG4YU-J{dBmq4L#!kqCKo;Op*f}KB#|Ur=T82R-1)l%+uF*ezA`s>`;(ur;cbd*J(h*4uK_sMFiBWpo+p8b0i)Ma}y}FFi(TKutpys z?5}R|my7pOg|HX0f5i44SV7|$^jlEIpp?Oug21d`riEGI*Us%<7lUB~&Ffm#O4`hP12^#A1(ARug)252}~eFJ+TxT%4B5RC!M!De&t9`TO``fvLK384`T zA^`*4006^)DH*B>3f9*E##mSp1MO@AwLc*x!KR?>q*Y;GnUvcMdjM00D7Okiz4M@Ki+M{sinj`xEf66*gdk zgGM@_;bC1M5=DS@fq*fz4(=uA|8N}v3*BJ?VTe$K1B{6%h~M`fgx9?Pg$pR+-#`QO z{1xaRHvvrj-e2fJE2Q4~S?0X9`tvKrKw*P#XpmrHgy8}}DVUFmU_%FS z3Fr)qtLLIG&Q&$30Bu+^MjQm7Jh5z@2 f1-+soy@#jOWlx{Wws!QuO<-Y8FDk00t4{xa9ygvu diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index e5c0d4f..cbd1573 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -177,9 +177,10 @@ \section{Variable Weighting Scheme\label{sec:weightingScheme}} One of the issues in particle simulations, specially for axial-symmetrical cases, is that due to the disparate volume of cells, specially close to the axis, the statistics in some cells is usually poor. To try to fix that, the possibility to include a Variable Weighting Scheme in the simulations is available in \Gls{fpakc}. - These schemes detect when a particle change cells and modify its weight accordingly. - To avoid particles having a larger weight than the rest, particle can be split in multiple particles if weight become too large. + These schemes detect when a particle change cells and split it if necessary to improve statistics. The use of a Variable Weighting Scheme is defined by the user in the input file. + + Beware that this can increase the number of particles in the simulation and increase computational time. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Interaction between species}\label{ssec:collisions} diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 58a7a71..88f7bf8 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -388,11 +388,12 @@ MODULE moduleSolver REAL(8):: fractionVolume, pSplit !If particle changes volume to smaller cell - IF (volOld%volume > volNew%volume) THEN + IF (volOld%volume > volNew%volume .AND. & + part%weight >= part%species%weight*1.0D-1) THEN fractionVolume = volOld%volume/volNew%volume !Calculate probability of splitting particle - pSplit = 1.D0 - DEXP(-fractionVolume) + pSplit = 1.D0 - DEXP(-fractionVolume*1.0D-1) IF (random() < pSplit) THEN !Split particle in two From 0677684f8527bb1bec24cfb9a369039dec88ccd9 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 31 Dec 2022 10:46:25 +0100 Subject: [PATCH 068/203] Adjusting weights for collisions Ionization and recombination collisions have been modified to have the right products accounting for the possibility that primary electron and target particle have different weight. --- src/modules/moduleCollisions.f90 | 93 ++++++++++++++++++++++++-------- 1 file changed, 70 insertions(+), 23 deletions(-) diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 3c241c1..702b54a 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -305,7 +305,7 @@ MODULE moduleCollisions REAL(8):: rMass, eRel TYPE(particle), POINTER:: electron => NULL(), neutral => NULL() REAL(8), DIMENSION(1:3):: vChange - TYPE(particle), POINTER:: newElectron + TYPE(particle), POINTER:: newElectron => NULL(), remainingNeutral => NULL() rMass = reducedMass(part_i%weight*part_i%species%m, part_j%weight*part_j%species%m) eRel = rMass*vRel**2 @@ -324,6 +324,39 @@ MODULE moduleCollisions END IF + !Exchange of velocity between particles + vChange = self%deltaV*randomDirectionVHS() + + !Energy is loss by the primary electron + electron%v = electron%v - vChange + + !Creates a new electron from ionization + ALLOCATE(newElectron) + + !Copy basic information from primary electron + newElectron = electron + + !Secondary electorn gains energy from ionization + newElectron%v = vChange + + !Correct the weight of the particles + IF (electron%weight >= neutral%weight) THEN + !If primary electron is hevier than neutral, reduce weight to secondary electron + newElectron%weight = neutral%weight + + ELSEIF (electron%weight < neutral%weight) THEN + !If primary electron is ligther than neutral, change weight of neutral and create new neutral + ALLOCATE(remainingNeutral) + PRINT *, "ionize" + + remainingNeutral = neutral + + remainingNeutral%weight = neutral%weight - electron%weight + + neutral%weight = electron%weight + + END IF + !Ionize neutral particle SELECT TYPE(sp => neutral%species) TYPE IS(speciesNeutral) @@ -335,27 +368,13 @@ MODULE moduleCollisions END SELECT - !Exchange of velocity between particles - vChange = self%deltaV*randomDirectionVHS() - - !Energy is loss by the primary electron - electron%v = electron%v - vChange - - !Creates a new electron from ionization - ALLOCATE(newElectron) - newElectron%species => electron%species - !Secondary electorn gains energy from ionization - newElectron%v = vChange - newElectron%r = neutral%r - newElectron%xi = neutral%xi - newElectron%n_in = .TRUE. - newElectron%vol = neutral%vol - newElectron%volColl = neutral%volColl - newElectron%weight = neutral%weight - - !Adds new electron to list of new particles from collisions + !Adds new particles to the list CALL OMP_SET_LOCK(lockCollisions) CALL partCollisions%add(newElectron) + IF (ASSOCIATED(remainingNeutral)) THEN + CALL partCollisions%add(remainingNeutral) + + END IF CALL OMP_UNSET_LOCK(lockCollisions) END IF @@ -399,7 +418,8 @@ MODULE moduleCollisions collision%electron => sp CLASS DEFAULT - CALL criticalError("Species " // sp%name // " chosen for ionization is not a charged species", 'initBinaryIonization') + CALL criticalError("Species " // sp%name // " chosen for recombination is not a charged species", & + 'initBinaryRecombination') END SELECT @@ -422,6 +442,7 @@ MODULE moduleCollisions TYPE(particle), POINTER:: electron => NULL(), ion => NULL() REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_i + TYPE(particle), POINTER:: remainingIon => NULL() IF (ASSOCIATED(part_i%species, self%electron)) THEN electron => part_i @@ -440,8 +461,27 @@ MODULE moduleCollisions !TODO: This energy should be transformed into photons vp_i = ion%v* (1.D0 - (vRel + self%deltaV)/NORM2(ion%v)) - !Remove electron from simulation - electron%n_in = .FALSE. + IF (electron%weight > ion%weight) THEN + !Reduce weight of primary electron but particle continues + electron%weight = electron%weight - ion%weight + + ELSE + !Remove electron from simulation + electron%n_in = .FALSE. + + !There is some ion remaining + IF (electron%weight < ion%weight) THEN + ALLOCATE(remainingIon) + + remainingIon = ion + + remainingIon%weight = ion%weight - electron%weight + + ion%weight = electron%weight + + END IF + + END IF !Neutralize ion particle SELECT TYPE(sp => ion%species) @@ -453,6 +493,13 @@ MODULE moduleCollisions END SELECT + !Adds new particles to the list + IF (ASSOCIATED(remainingIon)) THEN + CALL OMP_SET_LOCK(lockCollisions) + CALL partCollisions%add(remainingIon) + CALL OMP_UNSET_LOCK(lockCollisions) + END IF + END SUBROUTINE collideBinaryRecombination !RESONANT CHARGE EXCHANGE From 8199a228c8380c30db73c303fd183f32e4bc87a1 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 31 Dec 2022 11:22:02 +0100 Subject: [PATCH 069/203] Locks for particle lists are now inside the type. The lock of a particle list is no longer an external variable, it is now part of the type. New procedures have been added to set and unset the lock. --- src/modules/init/moduleInput.f90 | 8 +++++-- src/modules/mesh/moduleMeshBoundary.f90 | 4 ++-- src/modules/moduleCollisions.f90 | 9 ++++---- src/modules/moduleList.f90 | 30 ++++++++++++++++++++----- src/modules/solver/moduleSolver.f90 | 4 ++-- 5 files changed, 39 insertions(+), 16 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 2523b3b..ac40c3b 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -612,7 +612,7 @@ MODULE moduleInput nPartOld = 0 !Initialize the lock for the non-analogue (NA) list of particles - CALL OMP_INIT_LOCK(lockWScheme) + CALL OMP_INIT_LOCK(partWScheme%lock) END SUBROUTINE readSpecies @@ -676,7 +676,7 @@ MODULE moduleInput CALL config%get('interactions.folderCollisions', pathCollisions, found) !Inits lock for list of particles - CALL OMP_INIT_LOCK(lockCollisions) + CALL OMP_INIT_LOCK(partCollisions%lock) CALL config%info('interactions.collisions', found, n_children = nPairs) DO i = 1, nPairs @@ -770,6 +770,7 @@ MODULE moduleInput USE moduleErrors USE moduleSpecies USE moduleRefParam + USE moduleList, ONLY: partSurfaces USE json_module IMPLICIT NONE @@ -862,6 +863,9 @@ MODULE moduleInput END DO + !Init the list of particles from surfaces + CALL OMP_INIT_LOCK(partSurfaces%lock) + END SUBROUTINE readBoundary !Read the geometry (mesh) for the case diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index c5f3fc3..2e15c5c 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -169,10 +169,10 @@ MODULE moduleMeshBoundary newIon%n_in = .TRUE. !Add particles to list - CALL OMP_SET_LOCK(lockSurfaces) + CALL partSurfaces%setLock() CALL partSurfaces%add(newElectron) CALL partSurfaces%add(newIon) - CALL OMP_UNSET_LOCK(lockSurfaces) + CALL partSurfaces%unsetLock() !Electron loses energy due to ionization eRel = eRel - bound%eThreshold diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 702b54a..ba1edfd 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -347,7 +347,6 @@ MODULE moduleCollisions ELSEIF (electron%weight < neutral%weight) THEN !If primary electron is ligther than neutral, change weight of neutral and create new neutral ALLOCATE(remainingNeutral) - PRINT *, "ionize" remainingNeutral = neutral @@ -369,13 +368,13 @@ MODULE moduleCollisions END SELECT !Adds new particles to the list - CALL OMP_SET_LOCK(lockCollisions) + CALL partCollisions%setLock() CALL partCollisions%add(newElectron) IF (ASSOCIATED(remainingNeutral)) THEN CALL partCollisions%add(remainingNeutral) END IF - CALL OMP_UNSET_LOCK(lockCollisions) + CALL partCollisions%unsetLock() END IF @@ -495,9 +494,9 @@ MODULE moduleCollisions !Adds new particles to the list IF (ASSOCIATED(remainingIon)) THEN - CALL OMP_SET_LOCK(lockCollisions) + CALL partCollisions%setLock() CALL partCollisions%add(remainingIon) - CALL OMP_UNSET_LOCK(lockCollisions) + CALL partCollisions%unsetLock() END IF END SUBROUTINE collideBinaryRecombination diff --git a/src/modules/moduleList.f90 b/src/modules/moduleList.f90 index cf27388..b040c80 100644 --- a/src/modules/moduleList.f90 +++ b/src/modules/moduleList.f90 @@ -13,19 +13,19 @@ MODULE moduleList INTEGER:: amount = 0 TYPE(lNode),POINTER:: head => NULL() TYPE(lNode),POINTER:: tail => NULL() + INTEGER(KIND=OMP_LOCK_KIND):: lock CONTAINS PROCEDURE,PASS:: add => addToList PROCEDURE,PASS:: convert2Array PROCEDURE,PASS:: erase => eraseList + PROCEDURE,PASS:: setLock + PROCEDURE,PASS:: unsetLock END TYPE listNode TYPE(listNode):: partWScheme !Particles comming from the nonAnalogue scheme - INTEGER(KIND=OMP_LOCK_KIND):: lockWScheme !Lock for the NA list of particles TYPE(listNode):: partCollisions !Particles created in collisional process - INTEGER(KIND=OMP_LOCK_KIND):: lockCollisions !Lock for the NA list of particles TYPE(listNode):: partSurfaces !Particles created in surface interactions - INTEGER(KIND=OMP_LOCK_KIND):: lockSurfaces !Lock for the NA list of particles TYPE(listNode):: partInitial !Initial distribution of particles TYPE pointerArray @@ -80,8 +80,10 @@ MODULE moduleList END FUNCTION convert2Array !Erase list - SUBROUTINE eraseList(self) - CLASS(listNode):: self + PURE SUBROUTINE eraseList(self) + IMPLICIT NONE + + CLASS(listNode), INTENT(inout):: self TYPE(lNode),POINTER:: current, next current => self%head @@ -95,4 +97,22 @@ MODULE moduleList self%amount = 0 END SUBROUTINE eraseList + SUBROUTINE setLock(self) + USE OMP_LIB + IMPLICIT NONE + + CLASS(listNode):: self + CALL OMP_SET_LOCK(self%lock) + + END SUBROUTINE setLock + + SUBROUTINE unsetLock(self) + USE OMP_LIB + IMPLICIT NONE + + CLASS(listNode):: self + CALL OMP_UNSET_LOCK(self%lock) + + END SUBROUTINE unsetLock + END MODULE moduleList diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 88f7bf8..135b08f 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -434,9 +434,9 @@ MODULE moduleSolver !Copy data from original particle newPart = part !Add particle to list of new particles from weighting scheme - CALL OMP_SET_LOCK(lockWScheme) + CALL partWScheme%setLock() CALL partWScheme%add(newPart) - CALL OMP_UNSET_LOCK(lockWScheme) + CALL partWScheme%unsetLock() !Add particle to cell list CALL OMP_SET_lock(vol%lock) sp = part%species%n From 0db76083ec1b9c49592818ed9b5c493644b51714 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 1 Jan 2023 12:12:06 +0100 Subject: [PATCH 070/203] fPsi no longer allocates memory I noticed that phy2logquad had a lot of overhead. Trying to reducing it by simplifying calls to fPsi, dPsi and such. The function for fPsi has been made so no memory is allocated and works under the assumption that the input array has the right size (1:numNodes) --- src/modules/init/moduleInput.f90 | 6 +- src/modules/mesh/0D/moduleMesh0D.f90 | 7 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 54 ++-- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 68 ++-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 323 +++++++++---------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 107 +++--- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 237 +++++++------- src/modules/mesh/moduleMesh.f90 | 15 +- 8 files changed, 408 insertions(+), 409 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index ac40c3b..aaf4b08 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -361,14 +361,14 @@ MODULE moduleInput !Density at centroid of cell nodes = mesh%vols(e)%obj%getNodes() nNodes = SIZE(nodes) - fPsi = mesh%vols(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/)) + ALLOCATE(fPsi(1:nNodes)) + CALL mesh%vols(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/), fPsi) ALLOCATE(source(1:nNodes)) DO j = 1, nNodes source(j) = density(nodes(j)) END DO densityCen = DOT_PRODUCT(fPsi, source) - DEALLOCATE(fPsi) !Calculate number of particles nNewPart = INT(densityCen * (mesh%vols(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) @@ -380,7 +380,7 @@ MODULE moduleInput partNew%r = mesh%vols(e)%obj%randPos() partNew%xi = mesh%vols(e)%obj%phy2log(partNew%r) !Get mean velocity at particle position - fPsi = mesh%vols(e)%obj%fPsi(partNew%xi) + CALL mesh%vols(e)%obj%fPsi(partNew%xi, fPsi) DO j = 1, nNodes source(j) = velocity(nodes(j), 1) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 8e8072d..0a14520 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -106,14 +106,13 @@ MODULE moduleMesh0D END FUNCTION randPos0D - PURE FUNCTION fPsi0D(xi) RESULT(fPsi) + PURE SUBROUTINE fPsi0D(xi, fPsi) REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(out):: fPsi(:) - ALLOCATE(fPsi(1:1)) fPsi = 1.D0 - END FUNCTION fPsi0D + END SUBROUTINE fPsi0D PURE FUNCTION gatherEF0D(self, xi) RESULT(EF) IMPLICIT NONE diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 0a846d9..3380cf0 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -230,13 +230,13 @@ MODULE moduleMesh1DCart CLASS(meshVol1DCartSegm), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) - xii(1) = random(-1.D0, 1.D0) - xii(2:3) = 0.D0 + Xi(1) = random(-1.D0, 1.D0) + Xi(2:3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(Xi, fPsi) r(1) = DOT_PRODUCT(fPsi, self%x) END FUNCTION randPos1DCartSeg @@ -249,36 +249,34 @@ MODULE moduleMesh1DCart REAL(8):: l !element length REAL(8):: fPsi(1:2) REAL(8):: detJ - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) self%volume = 0.D0 self%arNodes = 0.D0 !1 point Gauss integral - Xii = 0.D0 - fPsi = self%fPsi(Xii) - detJ = self%detJac(Xii) + Xi = 0.D0 + CALL self%fPsi(Xi, fPsi) + detJ = self%detJac(Xi) l = 2.D0*detJ self%volume = l self%arNodes = fPsi*l END SUBROUTINE areaSegm - !Computes element functions at point xii - PURE FUNCTION fPsiSegm(xi) RESULT(fPsi) + !Computes element functions at point Xi + PURE SUBROUTINE fPsiSegm(xi, fPsi) IMPLICIT NONE REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - ALLOCATE(fPsi(1:2)) + REAL(8), INTENT(out):: fPsi(:) fPsi(1) = 1.D0 - xi(1) fPsi(2) = 1.D0 + xi(1) fPsi = fPsi * 5.D-1 - END FUNCTION fPsiSegm + END SUBROUTINE fPsiSegm - !Computes element derivative shape function at Xii + !Computes element derivative shape function at Xi PURE FUNCTION dPsiSegm(xi) RESULT(dPsi) IMPLICIT NONE @@ -310,19 +308,19 @@ MODULE moduleMesh1DCart CLASS(meshVol1DCartSegm), INTENT(in):: self REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) REAL(8):: dPsi(1:1, 1:2) REAL(8):: invJ(1), detJ INTEGER:: l ALLOCATE(localK(1:2,1:2)) localK = 0.D0 - Xii = 0.D0 + Xi = 0.D0 DO l = 1, 3 - xii(1) = corSeg(l) - dPsi = self%dPsi(Xii) - detJ = self%detJac(Xii, dPsi) - invJ = self%invJac(Xii, dPsi) + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & wSeg(l)/detJ @@ -339,17 +337,17 @@ MODULE moduleMesh1DCart REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:2) REAL(8):: detJ, f - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) INTEGER:: l ALLOCATE(localF(1:2)) localF = 0.D0 - Xii = 0.D0 + Xi = 0.D0 DO l = 1, 3 - xii(1) = corSeg(l) - detJ = self%detJac(Xii) - fPsi = self%fPsi(Xii) + Xi(1) = corSeg(l) + detJ = self%detJac(Xi) + CALL self%fPsi(Xi, fPsi) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wSeg(l)*detJ @@ -368,7 +366,7 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm - !Gathers EF at position Xii + !Gathers EF at position Xi PURE FUNCTION gatherEFSegm(self, xi) RESULT(EF) IMPLICIT NONE @@ -407,7 +405,7 @@ MODULE moduleMesh1DCart MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & self%n2%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) MF = MATMUL(fPsi, MF_Nodes) END FUNCTION gatherMFSegm diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index b8edfdd..7b09e5b 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -232,13 +232,13 @@ MODULE moduleMesh1DRad CLASS(meshVol1DRadSegm), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) - xii(1) = random(-1.D0, 1.D0) - xii(2:3) = 0.D0 + Xi(1) = random(-1.D0, 1.D0) + Xi(2:3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(Xi, fPsi) r(1) = DOT_PRODUCT(fPsi, self%r) END FUNCTION randPos1DRadSeg @@ -249,47 +249,47 @@ MODULE moduleMesh1DRad CLASS(meshVol1DRadSegm), INTENT(inout):: self REAL(8):: l !element length - REAL(8):: fPsi(1:2) + REAL(8):: fPsi(1:2), fPsi_node(1:2) REAL(8):: r REAL(8):: detJ - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) self%volume = 0.D0 self%arNodes = 0.D0 !1 point Gauss integral - Xii = 0.D0 - fPsi = self%fPsi(Xii) - detJ = self%detJac(Xii) + Xi = 0.D0 + CALL self%fPsi(Xi, fPsi) + detJ = self%detJac(Xi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) l = 2.D0*detJ self%volume = r*l !Computes volume per node - Xii = (/-5.D-1, 0.D0, 0.D0/) - r = DOT_PRODUCT(self%fPsi(Xii),self%r) + Xi = (/-5.D-1, 0.D0, 0.D0/) + CALL self%fPsi(Xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(1) = fPsi(1)*r*l - Xii = (/ 5.D-1, 0.D0, 0.D0/) - r = DOT_PRODUCT(self%fPsi(Xii),self%r) + Xi = (/ 5.D-1, 0.D0, 0.D0/) + CALL self%fPsi(Xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad - !Computes element functions at point xii - PURE FUNCTION fPsiRad(xi) RESULT(fPsi) + !Computes element functions at point Xi + PURE SUBROUTINE fPsiRad(xi, fPsi) IMPLICIT NONE REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - ALLOCATE(fPsi(1:2)) + REAL(8), INTENT(out):: fPsi(:) fPsi(1) = 1.D0 - xi(1) fPsi(2) = 1.D0 + xi(1) fPsi = fPsi * 5.D-1 - END FUNCTION fPsiRad + END SUBROUTINE fPsiRad - !Computes element derivative shape function at Xii + !Computes element derivative shape function at Xi PURE FUNCTION dPsiRad(xi) RESULT(dPsi) IMPLICIT NONE @@ -322,7 +322,7 @@ MODULE moduleMesh1DRad CLASS(meshVol1DRadSegm), INTENT(in):: self REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) REAL(8):: dPsi(1:1, 1:2) REAL(8):: invJ(1), detJ REAL(8):: r, fPsi(1:2) @@ -330,13 +330,13 @@ MODULE moduleMesh1DRad ALLOCATE(localK(1:2, 1:2)) localK = 0.D0 - Xii = 0.D0 + Xi = 0.D0 DO l = 1, 3 - xii(1) = corSeg(l) - dPsi = self%dPsi(Xii) - detJ = self%detJac(Xii, dPsi) - invJ = self%invJac(Xii, dPsi) - fPsi = self%fPsi(Xii) + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) + CALL self%fPsi(Xi, fPsi) r = DOT_PRODUCT(fPsi, self%r) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & @@ -357,17 +357,17 @@ MODULE moduleMesh1DRad REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:2) REAL(8):: detJ, f, r - REAL(8):: Xii(1:3) + REAL(8):: Xi(1:3) INTEGER:: l ALLOCATE(localF(1:2)) localF = 0.D0 - Xii = 0.D0 + Xi = 0.D0 DO l = 1, 3 - xii(1) = corSeg(l) - detJ = self%detJac(Xii) - fPsi = self%fPsi(Xii) + Xi(1) = corSeg(l) + detJ = self%detJac(Xi) + CALL self%fPsi(Xi, fPsi) r = DOT_PRODUCT(fPsi, self%r) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*r*wSeg(l)*detJ @@ -387,7 +387,7 @@ MODULE moduleMesh1DRad END FUNCTION insideRad - !Gathers EF at position Xii + !Gathers EF at position Xi PURE FUNCTION gatherEFRad(self, xi) RESULT(EF) IMPLICIT NONE @@ -426,7 +426,7 @@ MODULE moduleMesh1DRad MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & self%n2%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) MF = MATMUL(fPsi, MF_Nodes) END FUNCTION gatherMFRad diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index d01c0e4..c57cecc 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -11,8 +11,8 @@ MODULE moduleMesh2DCart REAL(8), PARAMETER:: corQuad(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) REAL(8), PARAMETER:: wQuad(1:3) = (/ 5.D0/9.D0, 8.D0/9.D0, 5.D0/9.D0 /) - REAL(8), PARAMETER:: xi1Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 3.D0/5.D0, 1.D0/5.D0 /) - REAL(8), PARAMETER:: xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) + REAL(8), PARAMETER:: Xi1Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 3.D0/5.D0, 1.D0/5.D0 /) + REAL(8), PARAMETER:: Xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) REAL(8), PARAMETER:: wTria(1:4) = (/ -27.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0 /) TYPE, PUBLIC, EXTENDS(meshNode):: meshNode2DCart @@ -47,8 +47,8 @@ MODULE moduleMesh2DCart END TYPE meshVol2DCart ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) - REAL(8), INTENT(in):: xi(1:3) + PURE FUNCTION dPsi_interface(Xi) RESULT(dPsi) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) END FUNCTION dPsi_interface @@ -210,14 +210,14 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartQuad), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) - xii(1) = random(-1.D0, 1.D0) - xii(2) = random(-1.D0, 1.D0) - xii(3) = 0.D0 + Xi(1) = random(-1.D0, 1.D0) + Xi(2) = random(-1.D0, 1.D0) + Xi(3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(Xi, fPsi) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) @@ -319,78 +319,77 @@ MODULE moduleMesh2DCart IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(inout):: self - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:4) self%volume = 0.D0 self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral - xi = 0.D0 - detJ = self%detJac(xi)*4.D0 !4 - fPsi = self%fPsi(xi) + Xi = 0.D0 + detJ = self%detJac(Xi)*4.D0 !4 + CALL self%fPsi(Xi, fPsi) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaQuad - !Computes element functions in point xi - PURE FUNCTION fPsiQuad(xi) RESULT(fPsi) + !Computes element functions in point Xi + PURE SUBROUTINE fPsiQuad(Xi, fPsi) IMPLICIT NONE - REAL(8),INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(out):: fPsi(:) - ALLOCATE(fPsi(1:4)) + fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) + fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) + fPsi(3) = (1.D0+Xi(1)) * (1.D0+Xi(2)) + fPsi(4) = (1.D0-Xi(1)) * (1.D0+Xi(2)) - fPsi(1) = (1.D0-xi(1))*(1.D0-xi(2)) - fPsi(2) = (1.D0+xi(1))*(1.D0-xi(2)) - fPsi(3) = (1.D0+xi(1))*(1.D0+xi(2)) - fPsi(4) = (1.D0-xi(1))*(1.D0+xi(2)) fPsi = fPsi*0.25D0 - END FUNCTION fPsiQuad + END SUBROUTINE fPsiQuad - !Derivative element function at coordinates xi - PURE FUNCTION dPsiQuad(xi) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiQuad(Xi) RESULT(dPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) ALLOCATE(dPsi(1:2,1:4)) - dPsi(1,:) = dPsiQuadXi1(xi(2)) - dPsi(2,:) = dPsiQuadXi2(xi(1)) + dPsi(1,:) = dPsiQuadXi1(Xi(2)) + dPsi(2,:) = dPsiQuadXi2(Xi(1)) END FUNCTION dPsiQuad - !Derivative element function (xi1) - PURE FUNCTION dPsiQuadXi1(xi2) RESULT(dPsiXi1) + !Derivative element function (Xi1) + PURE FUNCTION dPsiQuadXi1(Xi2) RESULT(dPsiXi1) IMPLICIT NONE - REAL(8),INTENT(in):: xi2 + REAL(8),INTENT(in):: Xi2 REAL(8):: dPsiXi1(1:4) - dPsiXi1(1) = -(1.D0-xi2) - dPsiXi1(2) = (1.D0-xi2) - dPsiXi1(3) = (1.D0+xi2) - dPsiXi1(4) = -(1.D0+xi2) + dPsiXi1(1) = -(1.D0-Xi2) + dPsiXi1(2) = (1.D0-Xi2) + dPsiXi1(3) = (1.D0+Xi2) + dPsiXi1(4) = -(1.D0+Xi2) dPsiXi1 = dPsiXi1*0.25D0 END FUNCTION dPsiQuadXi1 - !Derivative element function (xi2) - PURE FUNCTION dPsiQuadXi2(xi1) RESULT(dPsiXi2) + !Derivative element function (Xi2) + PURE FUNCTION dPsiQuadXi2(Xi1) RESULT(dPsiXi2) IMPLICIT NONE - REAL(8),INTENT(in):: xi1 + REAL(8),INTENT(in):: Xi1 REAL(8):: dPsiXi2(1:4) - dPsiXi2(1) = -(1.D0-xi1) - dPsiXi2(2) = -(1.D0+xi1) - dPsiXi2(3) = (1.D0+xi1) - dPsiXi2(4) = (1.D0-xi1) + dPsiXi2(1) = -(1.D0-Xi1) + dPsiXi2(2) = -(1.D0+Xi1) + dPsiXi2(3) = (1.D0+Xi1) + dPsiXi2(4) = (1.D0-Xi1) dPsiXi2 = dPsiXi2*0.25D0 END FUNCTION dPsiQuadXi2 @@ -415,24 +414,24 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartQuad), INTENT(in):: self REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:2,1:4) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l, m ALLOCATE(localK(1:4, 1:4)) localK=0.D0 - xi=0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 3 - xi(2) = corQuad(l) - dPsi(1,:) = self%dPsiXi1(xi(2)) + Xi(2) = corQuad(l) + dPsi(1,:) = self%dPsiXi1(Xi(2)) DO m = 1, 3 - xi(1) = corQuad(m) - dPsi(2,:) = self%dPsiXi2(xi(1)) - fPsi = self%fPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) + Xi(1) = corQuad(m) + dPsi(2,:) = self%dPsiXi2(Xi(1)) + CALL self%fPsi(Xi, fPsi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ END DO @@ -447,20 +446,20 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: detJ, f INTEGER:: l, m ALLOCATE(localF(1:4)) localF = 0.D0 - xi = 0.D0 + Xi = 0.D0 DO l=1, 3 - xi(1) = corQuad(l) + Xi(1) = corQuad(l) DO m = 1, 3 - xi(2) = corQuad(m) - detJ = self%detJac(xi) - fPsi = self%fPsi(xi) + Xi(2) = corQuad(m) + detJ = self%detJac(Xi) + CALL self%fPsi(Xi, fPsi) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -470,23 +469,23 @@ MODULE moduleMesh2DCart END FUNCTION elemFQuad !Checks if a particle is inside a quad element - PURE FUNCTION insideQuad(xi) RESULT(ins) + PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins - ins = (xi(1) >= -1.D0 .AND. xi(1) <= 1.D0) .AND. & - (xi(2) >= -1.D0 .AND. xi(2) <= 1.D0) + ins = (Xi(1) >= -1.D0 .AND. Xi(1) <= 1.D0) .AND. & + (Xi(2) >= -1.D0 .AND. Xi(2) <= 1.D0) END FUNCTION insideQuad - !Gathers the electric field at position xi - PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) + !Gathers the electric field at position Xi + PURE FUNCTION gatherEFQuad(self,Xi) RESULT(EF) IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: dPsi(1:2,1:4) REAL(8):: dPsiR(1:2,1:4)!Derivative of shpae functions in global coordinates REAL(8):: invJ(1:2,1:2), detJ @@ -498,9 +497,9 @@ MODULE moduleMesh2DCart self%n3%emData%phi, & self%n4%emData%phi /) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) dPsiR = MATMUL(invJ, dPsi)/detJ EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) @@ -508,11 +507,11 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFQuad - PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + PURE FUNCTION gatherMFQuad(self,Xi) RESULT(MF) IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: MF_Nodes(1:4,1:3) REAL(8):: MF(1:3) @@ -530,7 +529,7 @@ MODULE moduleMesh2DCart self%n3%emData%B(3), & self%n4%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(Xi, fPsi) MF = MATMUL(fPsi(:), MF_Nodes) END FUNCTION gatherMFQuad @@ -548,47 +547,47 @@ MODULE moduleMesh2DCart END FUNCTION getNodesQuad !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logQuad(self,r) RESULT(xN) + PURE FUNCTION phy2logQuad(self,r) RESULT(XiN) IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xN(1:3) - REAL(8):: xO(1:3), detJ, invJ(1:2,1:2), f(1:2) + REAL(8):: XiN(1:3) + REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) REAL(8):: dPsi(1:2,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates conv=1.D0 - xO=0.D0 + XiO=0.D0 DO WHILE(conv>1.D-4) - dPsi = self%dPsi(xO) - invJ = self%invJac(xO, dPsi) - fPsi = self%fPsi(xO) + dPsi = self%dPsi(XiO) + invJ = self%invJac(XiO, dPsi) + CALL self%fPsi(XiO, fPsi) f(1) = DOT_PRODUCT(fPsi,self%x)-r(1) f(2) = DOT_PRODUCT(fPsi,self%y)-r(2) - detJ = self%detJac(xO,dPsi) - xN(1:2)=xO(1:2) - MATMUL(invJ, f)/detJ - conv=MAXVAL(DABS(xN-xO),1) - xO=xN + detJ = self%detJac(XiO,dPsi) + XiN(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ + conv=MAXVAL(DABS(XiN-XiO),1) + XiO=XiN END DO END FUNCTION phy2logQuad - !Gets the next element for a logical position xi - SUBROUTINE nextElementQuad(self, xi, nextElement) + !Gets the next element for a logical position Xi + SUBROUTINE nextElementQuad(self, Xi, nextElement) IMPLICIT NONE CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement - REAL(8):: xiArray(1:4) + REAL(8):: XiArray(1:4) INTEGER:: nextInt - xiArray = (/ -xi(2), xi(1), xi(2), -xi(1) /) - nextInt = MAXLOC(xiArray,1) + XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) + nextInt = MAXLOC(XiArray,1) !Selects the higher value of directions and searches in that direction NULLIFY(nextElement) SELECT CASE (nextInt) @@ -649,14 +648,14 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartTria), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:3) - xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0 - xii(1)) - xii(3) = 0.D0 + Xi(1) = random( 0.D0, 1.D0) + Xi(2) = random( 0.D0, 1.D0 - Xi(1)) + Xi(3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(Xi, fPsi) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) @@ -669,55 +668,53 @@ MODULE moduleMesh2DCart IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(inout):: self - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:3) self%volume = 0.D0 self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral - xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(xi)/2.D0 - fPsi = self%fPsi(xi) + Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) + detJ = self%detJac(Xi)/2.D0 + CALL self%fPsi(Xi, fPsi) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaTria !Shape functions for triangular element - PURE FUNCTION fPsiTria(xi) RESULT(fPsi) + PURE SUBROUTINE fPsiTria(Xi, fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(out):: fPsi(:) - ALLOCATE(fPsi(1:3)) + fPsi(1) = 1.D0 - Xi(1) - Xi(2) + fPsi(2) = Xi(1) + fPsi(3) = Xi(2) - fPsi(1) = 1.D0 - xi(1) - xi(2) - fPsi(2) = xi(1) - fPsi(3) = xi(2) + END SUBROUTINE fPsiTria - END FUNCTION fPsiTria - - !Derivative element function at coordinates xi - PURE FUNCTION dPsiTria(xi) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiTria(Xi) RESULT(dPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) ALLOCATE(dPsi(1:2,1:3)) - dPsi(1,:) = dPsiTriaXi1(xi(2)) - dPsi(2,:) = dPsiTriaXi2(xi(1)) + dPsi(1,:) = dPsiTriaXi1(Xi(2)) + dPsi(2,:) = dPsiTriaXi2(Xi(1)) END FUNCTION dPsiTria - !Derivative element function (xi1) - PURE FUNCTION dPsiTriaXi1(xi2) RESULT(dPsiXi1) + !Derivative element function (Xi1) + PURE FUNCTION dPsiTriaXi1(Xi2) RESULT(dPsiXi1) IMPLICIT NONE - REAL(8), INTENT(in):: xi2 + REAL(8), INTENT(in):: Xi2 REAL(8):: dPsiXi1(1:3) dPsiXi1(1) = -1.D0 @@ -726,11 +723,11 @@ MODULE moduleMesh2DCart END FUNCTION dPsiTriaXi1 - !Derivative element function (xi1) - PURE FUNCTION dPsiTriaXi2(xi1) RESULT(dPsiXi2) + !Derivative element function (Xi1) + PURE FUNCTION dPsiTriaXi2(Xi1) RESULT(dPsiXi2) IMPLICIT NONE - REAL(8), INTENT(in):: xi1 + REAL(8), INTENT(in):: Xi1 REAL(8):: dPsiXi2(1:3) dPsiXi2(1) = -1.D0 @@ -759,22 +756,22 @@ MODULE moduleMesh2DCart CLASS(meshVol2DCartTria), INTENT(in):: self REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:3), dPsi(1:2,1:3) REAL(8):: invJ(1:2,1:2), detJ INTEGER:: l ALLOCATE(localK(1:4, 1:4)) localK=0.D0 - xi=0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - fPsi = self%fPsi(xi) + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) + CALL self%fPsi(Xi, fPsi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -789,19 +786,19 @@ MODULE moduleMesh2DCart REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:3) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: detJ, f INTEGER:: l ALLOCATE(localF(1:3)) localF = 0.D0 - xi = 0.D0 + Xi = 0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - detJ = self%detJac(xi) - fPsi = self%fPsi(xi) + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + detJ = self%detJac(Xi) + CALL self%fPsi(Xi, fPsi) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wTria(l)*detJ @@ -809,24 +806,24 @@ MODULE moduleMesh2DCart END FUNCTION elemFTria - PURE FUNCTION insideTria(xi) RESULT(ins) + PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins - ins = xi(1) >= 0.D0 .AND. & - xi(2) >= 0.D0 .AND. & - 1.D0 - xi(1) - xi(2) >= 0.D0 + ins = Xi(1) >= 0.D0 .AND. & + Xi(2) >= 0.D0 .AND. & + 1.D0 - Xi(1) - Xi(2) >= 0.D0 END FUNCTION insideTria - !Gathers the electric field at position xi - PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) + !Gathers the electric field at position Xi + PURE FUNCTION gatherEFTria(self,Xi) RESULT(EF) IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: dPsi(1:2,1:3) REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates REAL(8):: invJ(1:2,1:2), detJ @@ -837,9 +834,9 @@ MODULE moduleMesh2DCart self%n2%emData%phi, & self%n3%emData%phi /) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) dPsiR = MATMUL(invJ, dPsi)/detJ EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) @@ -847,11 +844,11 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFTria - PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + PURE FUNCTION gatherMFTria(self,Xi) RESULT(MF) IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: fPsi(1:3) REAL(8):: MF_Nodes(1:3,1:3) REAL(8):: MF(1:3) @@ -866,7 +863,7 @@ MODULE moduleMesh2DCart self%n2%emData%B(3), & self%n3%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(Xi, fPsi) MF = MATMUL(fPsi, MF_Nodes) END FUNCTION gatherMFTria @@ -884,37 +881,37 @@ MODULE moduleMesh2DCart END FUNCTION getNodesTria !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logTria(self,r) RESULT(xi) + PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: invJ(1:2,1:2), detJ REAL(8):: deltaR(1:2) REAL(8):: dPsi(1:2,1:3) !Direct method to convert coordinates - xi = 0.D0 !Irrelevant, required for input + Xi = 0.D0 !Irrelevant, required for input deltaR = (/ r(1) - self%x(1), r(2) - self%y(1) /) - dPsi = self%dPsi(xi) - invJ = self%invJac(xi, dPsi) - detJ = self%detJac(xi, dPsi) - xi(1:2) = MATMUL(invJ,deltaR)/detJ + dPsi = self%dPsi(Xi) + invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, dPsi) + Xi(1:2) = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria - SUBROUTINE nextElementTria(self, xi, nextElement) + SUBROUTINE nextElementTria(self, Xi, nextElement) IMPLICIT NONE CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement - REAL(8):: xiArray(1:3) + REAL(8):: XiArray(1:3) INTEGER:: nextInt - xiArray = (/ xi(2), 1.D0-xi(1)-xi(2), xi(1) /) - nextInt = MINLOC(xiArray,1) + XiArray = (/ Xi(2), 1.D0-Xi(1)-Xi(2), Xi(1) /) + nextInt = MINLOC(XiArray,1) NULLIFY(nextElement) SELECT CASE (nextInt) CASE (1) @@ -929,11 +926,11 @@ MODULE moduleMesh2DCart !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 2D !Computes element Jacobian determinant - PURE FUNCTION detJ2DCart(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCart(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshVol2DCart), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) REAL(8), ALLOCATABLE:: dPsi(:,:) REAL(8):: dJ @@ -943,7 +940,7 @@ MODULE moduleMesh2DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF @@ -953,11 +950,11 @@ MODULE moduleMesh2DCart END FUNCTION detJ2DCart !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCart(self,xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCart(self,Xi,dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshVol2DCart), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) REAL(8), ALLOCATABLE:: dPsi(:,:) REAL(8):: dx(1:2), dy(1:2) @@ -967,7 +964,7 @@ MODULE moduleMesh2DCart dPsi=dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index c576c71..2869cb3 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -310,49 +310,52 @@ MODULE moduleMesh2DCyl CLASS(meshVol2DCylQuad), INTENT(inout):: self REAL(8):: r, xi(1:3) REAL(8):: detJ - REAL(8):: fPsi(1:4) + REAL(8):: fPsi(1:4), fPsi_node(1:4) self%volume = 0.D0 self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral xi = 0.D0 detJ = self%detJac(xi)*PI8 !4*2*pi - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ !Computes volume per node xi = (/-5.D-1, -5.D-1, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + CALL self%fPsi(xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(1) = fPsi(1)*r*detJ xi = (/ 5.D-1, -5.D-1, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + CALL self%fPsi(xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(2) = fPsi(2)*r*detJ xi = (/ 5.D-1, 5.D-1, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + CALL self%fPsi(xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(3) = fPsi(3)*r*detJ xi = (/-5.D-1, 5.D-1, 0.D0/) - r = DOT_PRODUCT(self%fPsi(xi),self%r) + CALL self%fPsi(xi, fPsi_node) + r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad !Computes element functions in point xi - PURE FUNCTION fPsiQuad(xi) RESULT(fPsi) + PURE SUBROUTINE fPsiQuad(xi, fPsi) IMPLICIT NONE - REAL(8),INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(out):: fPsi(:) - ALLOCATE(fPsi(1:4)) + fPsi(1) = (1.D0-xi(1)) * (1.D0-xi(2)) + fPsi(2) = (1.D0+xi(1)) * (1.D0-xi(2)) + fPsi(3) = (1.D0+xi(1)) * (1.D0+xi(2)) + fPsi(4) = (1.D0-xi(1)) * (1.D0+xi(2)) - fPsi(1) = (1.D0-xi(1))*(1.D0-xi(2)) - fPsi(2) = (1.D0+xi(1))*(1.D0-xi(2)) - fPsi(3) = (1.D0+xi(1))*(1.D0+xi(2)) - fPsi(4) = (1.D0-xi(1))*(1.D0+xi(2)) fPsi = fPsi*0.25D0 - END FUNCTION fPsiQuad + END SUBROUTINE fPsiQuad !Derivative element function at coordinates xi PURE FUNCTION dPsiQuad(xi) RESULT(dPsi) @@ -375,10 +378,11 @@ MODULE moduleMesh2DCyl REAL(8),INTENT(in):: xi2 REAL(8):: dPsiXi1(1:4) - dPsiXi1(1) = -(1.D0-xi2) - dPsiXi1(2) = (1.D0-xi2) - dPsiXi1(3) = (1.D0+xi2) - dPsiXi1(4) = -(1.D0+xi2) + dPsiXi1(1) = -(1.D0 - xi2) + dPsiXi1(2) = (1.D0 - xi2) + dPsiXi1(3) = (1.D0 + xi2) + dPsiXi1(4) = -(1.D0 + xi2) + dPsiXi1 = dPsiXi1*0.25D0 END FUNCTION dPsiQuadXi1 @@ -390,11 +394,12 @@ MODULE moduleMesh2DCyl REAL(8),INTENT(in):: xi1 REAL(8):: dPsiXi2(1:4) - dPsiXi2(1) = -(1.D0-xi1) - dPsiXi2(2) = -(1.D0+xi1) - dPsiXi2(3) = (1.D0+xi1) - dPsiXi2(4) = (1.D0-xi1) - dPsiXi2 = dPsiXi2*0.25D0 + dPsiXi2(1) = -(1.D0 - xi1) + dPsiXi2(2) = -(1.D0 + xi1) + dPsiXi2(3) = (1.D0 + xi1) + dPsiXi2(4) = (1.D0 - xi1) + + dPsiXi2 = dPsiXi2 * 0.25D0 END FUNCTION dPsiQuadXi2 @@ -427,7 +432,7 @@ MODULE moduleMesh2DCyl xii(2) = random(-1.D0, 1.D0) xii(3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(xii, fPsi) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -457,7 +462,7 @@ MODULE moduleMesh2DCyl DO m = 1, 3 xi(1) = corQuad(m) dPsi(2,:) = self%dPsiXi2(xi(1)) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) detJ = self%detJac(xi,dPsi) invJ = self%invJac(xi,dPsi) r = DOT_PRODUCT(fPsi,self%r) @@ -492,7 +497,7 @@ MODULE moduleMesh2DCyl DO m = 1, 3 xi(2) = corQuad(m) detJ = self%detJac(xi) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -564,7 +569,7 @@ MODULE moduleMesh2DCyl self%n3%emData%B(3), & self%n4%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) MF = MATMUL(fPsi(:), MF_Nodes) END FUNCTION gatherMFQuad @@ -582,30 +587,30 @@ MODULE moduleMesh2DCyl END FUNCTION getNodesQuad !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logQuad(self,r) RESULT(xN) + PURE FUNCTION phy2logQuad(self,r) RESULT(XiN) IMPLICIT NONE CLASS(meshVol2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xN(1:3) - REAL(8):: xO(1:3), detJ, invJ(1:2,1:2), f(1:2) + REAL(8):: XiN(1:3) + REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) REAL(8):: dPsi(1:2,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates conv=1.D0 - xO=0.D0 + XiO=0.D0 - DO WHILE(conv>1.D-4) - dPsi = self%dPsi(xO) - invJ = self%invJac(xO, dPsi) - fPsi = self%fPsi(xO) - f(1) = DOT_PRODUCT(fPsi,self%z)-r(1) - f(2) = DOT_PRODUCT(fPsi,self%r)-r(2) - detJ = self%detJac(xO,dPsi) - xN(1:2)=xO(1:2) - MATMUL(invJ, f)/detJ - conv=MAXVAL(DABS(xN-xO),1) - xO=xN + DO WHILE(conv>1.D-3) + CALL self%fPsi(XiO, fPsi) + f = (/ DOT_PRODUCT(fPsi,self%z)-r(1), & + DOT_PRODUCT(fPsi,self%r)-r(2) /) + dPsi = self%dPsi(XiO) + invJ = self%invJac(XiO, dPsi) + detJ = self%detJac(XiO,dPsi) + XiN(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ + conv=MAXVAL(DABS(XiN-XiO),1) + XiO=XiN END DO @@ -690,7 +695,7 @@ MODULE moduleMesh2DCyl xii(2) = random( 0.D0, 1.D0 - xii(1)) xii(3) = 0.D0 - fPsi = self%fPsi(xii) + CALL self%fPsi(xii, fPsi) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -713,7 +718,7 @@ MODULE moduleMesh2DCyl !2D 1 point Gauss Quad Integral xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(xi)*PI !2PI*1/2 - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ @@ -723,19 +728,17 @@ MODULE moduleMesh2DCyl END SUBROUTINE areaTria !Shape functions for triangular element - PURE FUNCTION fPsiTria(xi) RESULT(fPsi) + PURE SUBROUTINE fPsiTria(xi, fPsi) IMPLICIT NONE REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - ALLOCATE(fPsi(1:3)) + REAL(8), INTENT(out):: fPsi(:) fPsi(1) = 1.D0 - xi(1) - xi(2) fPsi(2) = xi(1) fPsi(3) = xi(2) - END FUNCTION fPsiTria + END SUBROUTINE fPsiTria !Derivative element function at coordinates xi PURE FUNCTION dPsiTria(xi) RESULT(dPsi) @@ -813,7 +816,7 @@ MODULE moduleMesh2DCyl dPsi = self%dPsi(xi) detJ = self%detJac(xi,dPsi) invJ = self%invJac(xi,dPsi) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ @@ -843,7 +846,7 @@ MODULE moduleMesh2DCyl xi(1) = xi1Tria(l) xi(2) = xi2Tria(l) detJ = self%detJac(xi) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wTria(l)*detJ @@ -910,7 +913,7 @@ MODULE moduleMesh2DCyl self%n2%emData%B(3), & self%n3%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(xi, fPsi) MF = MATMUL(fPsi, MF_Nodes) END FUNCTION gatherMFTria diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 0add18a..4b29c16 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -41,8 +41,8 @@ MODULE moduleMesh3DCart END TYPE meshVol3DCart ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(xii) RESULT(dPsi) - REAL(8), INTENT(in):: xii(1:3) + PURE FUNCTION dPsi_interface(Xi) RESULT(dPsi) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) END FUNCTION dPsi_interface @@ -71,8 +71,8 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: calcVol => volumeTetra PROCEDURE, NOPASS:: fPsi => fPsiTetra PROCEDURE, NOPASS:: dPsi => dPsiTetra - PROCEDURE, NOPASS:: dPsiXi1 => dPsiTetraXii1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiTetraXii2 + PROCEDURE, NOPASS:: dPsiXi1 => dPsiTetraXi1 + PROCEDURE, NOPASS:: dPsiXi2 => dPsiTetraXi2 PROCEDURE, PASS:: partialDer => partialDerTetra PROCEDURE, PASS:: elemK => elemKTetra PROCEDURE, PASS:: elemF => elemFTetra @@ -213,14 +213,14 @@ MODULE moduleMesh3DCart CLASS(meshEdge3DCartTria), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:3) - xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0 - xii(1)) - xii(3) = 0.D0 + Xi(1) = random( 0.D0, 1.D0) + Xi(2) = random( 0.D0, 1.D0 - Xi(1)) + Xi(3) = 0.D0 - fPsi = self%fPsi(xii) + fPsi = self%fPsi(Xi) r = (/DOT_PRODUCT(fPsi, self%x), & DOT_PRODUCT(fPsi, self%y), & DOT_PRODUCT(fPsi, self%z)/) @@ -228,17 +228,17 @@ MODULE moduleMesh3DCart END FUNCTION randPosEdgeTria !Shape functions for triangular surface - PURE FUNCTION fPsiEdgeTria(xii) RESULT(fPsi) + PURE FUNCTION fPsiEdgeTria(Xi) RESULT(fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xii(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) ALLOCATE(fPsi(1:3)) - fPsi(1) = 1.D0 - xii(1) - xii(2) - fPsi(2) = xii(1) - fPsi(3) = xii(2) + fPsi(1) = 1.D0 - Xi(1) - Xi(2) + fPsi(2) = Xi(1) + fPsi(3) = Xi(2) END FUNCTION fPsiEdgeTria @@ -254,6 +254,7 @@ MODULE moduleMesh3DCart INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 !Positions of each node + REAL(8):: Xi(1:3), fPsi(1:4) REAL(8):: volNodes(1:4) !Volume of each node self%n = n @@ -274,8 +275,9 @@ MODULE moduleMesh3DCart CALL self%calcVol() !Assign proportional volume to each node - !TODO: Review this to apply to all elements in the future - volNodes = self%fPsi((/0.25D0, 0.25D0, 0.25D0/))*self%volume + Xi = (/0.25D0, 0.25D0, 0.25D0/) + CALL self%fPsi(Xi, fPsi) + volNodes = fPsi*self%volume self%n1%v = self%n1%v + volNodes(1) self%n2%v = self%n2%v + volNodes(2) self%n3%v = self%n3%v + volNodes(3) @@ -295,19 +297,18 @@ MODULE moduleMesh3DCart CLASS(meshVol3DCartTetra), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4) - xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0 - xii(1)) - xii(3) = random( 0.D0, 1.D0 - xii(1) - xii(2)) + Xi(1) = random( 0.D0, 1.D0) + Xi(2) = random( 0.D0, 1.D0 - Xi(1)) + Xi(3) = random( 0.D0, 1.D0 - Xi(1) - Xi(2)) - ALLOCATE(fPsi(1:4)) - fPsi = self%fPsi(xii) + CALL self%fPsi(Xi, fPsi) - r(1) = DOT_PRODUCT(fPsi, self%x) - r(2) = DOT_PRODUCT(fPsi, self%y) - r(3) = DOT_PRODUCT(fPsi, self%z) + r = (/ DOT_PRODUCT(fPsi, self%x), & + DOT_PRODUCT(fPsi, self%y), & + DOT_PRODUCT(fPsi, self%z) /) END FUNCTION randPosVolTetra @@ -316,83 +317,81 @@ MODULE moduleMesh3DCart IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(inout):: self - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) self%volume = 0.D0 - xii = (/0.25D0, 0.25D0, 0.25D0/) - self%volume = self%detJac(xii) + Xi = (/0.25D0, 0.25D0, 0.25D0/) + self%volume = self%detJac(Xi) END SUBROUTINE volumeTetra - !Computes element functions in point xii - PURE FUNCTION fPsiTetra(xi) RESULT(fPsi) + !Computes element functions in point Xi + PURE SUBROUTINE fPsiTetra(Xi, fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(out):: fPsi(:) - ALLOCATE(fPsi(1:4)) + fPsi(1) = 1.D0 - Xi(1) - Xi(2) - Xi(3) + fPsi(2) = Xi(1) + fPsi(3) = Xi(2) + fPsi(4) = Xi(3) - fPsi(1) = 1.D0 - xi(1) - xi(2) - xi(3) - fPsi(2) = xi(1) - fPsi(3) = xi(2) - fPsi(4) = xi(3) + END SUBROUTINE fPsiTetra - END FUNCTION fPsiTetra - - !Derivative element function at coordinates xii - PURE FUNCTION dPsiTetra(xii) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiTetra(Xi) RESULT(dPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xii(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), ALLOCATABLE:: dPsi(:,:) ALLOCATE(dPsi(1:3,1:4)) - dPsi(1,:) = dPsiTetraXii1(xii(2), xii(3)) - dPsi(2,:) = dPsiTetraXii2(xii(1), xii(3)) - dPsi(3,:) = dPsiTetraXii3(xii(1), xii(2)) + dPsi(1,:) = dPsiTetraXi1(Xi(2), Xi(3)) + dPsi(2,:) = dPsiTetraXi2(Xi(1), Xi(3)) + dPsi(3,:) = dPsiTetraXi3(Xi(1), Xi(2)) END FUNCTION dPsiTetra - !Derivative element function respect to xii1 - PURE FUNCTION dPsiTetraXii1(xii2, xii3) RESULT(dPsiXii1) + !Derivative element function respect to Xi1 + PURE FUNCTION dPsiTetraXi1(Xi2, Xi3) RESULT(dPsiXi1) IMPLICIT NONE - REAL(8), INTENT(in):: xii2, xii3 - REAL(8):: dPsiXii1(1:4) + REAL(8), INTENT(in):: Xi2, Xi3 + REAL(8):: dPsiXi1(1:4) - dPsiXii1(1) = -1.D0 - dPsiXii1(2) = 1.D0 - dPsiXii1(3) = 0.D0 - dPsiXii1(4) = 0.D0 + dPsiXi1(1) = -1.D0 + dPsiXi1(2) = 1.D0 + dPsiXi1(3) = 0.D0 + dPsiXi1(4) = 0.D0 - END FUNCTION dPsiTetraXii1 + END FUNCTION dPsiTetraXi1 - !Derivative element function respect to xii2 - PURE FUNCTION dPsiTetraXii2(xii1, xii3) RESULT(dPsiXii2) + !Derivative element function respect to Xi2 + PURE FUNCTION dPsiTetraXi2(Xi1, Xi3) RESULT(dPsiXi2) IMPLICIT NONE - REAL(8), INTENT(in):: xii1, xii3 - REAL(8):: dPsiXii2(1:4) + REAL(8), INTENT(in):: Xi1, Xi3 + REAL(8):: dPsiXi2(1:4) - dPsiXii2(1) = -1.D0 - dPsiXii2(2) = 0.D0 - dPsiXii2(3) = 1.D0 - dPsiXii2(4) = 0.D0 + dPsiXi2(1) = -1.D0 + dPsiXi2(2) = 0.D0 + dPsiXi2(3) = 1.D0 + dPsiXi2(4) = 0.D0 - END FUNCTION dPsiTetraXii2 + END FUNCTION dPsiTetraXi2 - !Derivative element function respect to xii3 - PURE FUNCTION dPsiTetraXii3(xii1, xii2) RESULT(dPsiXii3) + !Derivative element function respect to Xi3 + PURE FUNCTION dPsiTetraXi3(Xi1, Xi2) RESULT(dPsiXi3) IMPLICIT NONE - REAL(8), INTENT(in):: xii1, xii2 - REAL(8):: dPsiXii3(1:4) + REAL(8), INTENT(in):: Xi1, Xi2 + REAL(8):: dPsiXi3(1:4) - dPsiXii3(1) = -1.D0 - dPsiXii3(2) = 0.D0 - dPsiXii3(3) = 0.D0 - dPsiXii3(4) = 1.D0 + dPsiXi3(1) = -1.D0 + dPsiXi3(2) = 0.D0 + dPsiXi3(3) = 0.D0 + dPsiXi3(4) = 1.D0 - END FUNCTION dPsiTetraXii3 + END FUNCTION dPsiTetraXi3 !Computes the derivatives in global coordinates PURE SUBROUTINE partialDerTetra(self, dPsi, dx, dy, dz) @@ -421,19 +420,19 @@ MODULE moduleMesh3DCart CLASS(meshVol3DCartTetra), INTENT(in):: self REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) REAL(8):: invJ(1:3,1:3), detJ ALLOCATE(localK(1:4,1:4)) localK = 0.D0 - xii = 0.D0 + Xi = 0.D0 !TODO: One point Gauss integral. Upgrade when possible - xii = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(xii) - detJ = self%detJac(xii, dPsi) - invJ = self%invJac(xii, dPsi) - fPsi = self%fPsi(xii) + Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) + CALL self%fPsi(Xi, fPsi) localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ END FUNCTION elemKTetra @@ -445,40 +444,40 @@ MODULE moduleMesh3DCart REAL(8), INTENT(in):: source(1:) REAL(8), ALLOCATABLE:: localF(:) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) - REAL(8):: xii(1:3) + REAL(8):: Xi(1:3) REAL(8):: detJ, f ALLOCATE(localF(1:4)) + localF = 0.D0 - xii = 0.D0 - !TODO: One point Gauss integral. Upgrade when possible - xii = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(xii) - detJ = self%detJac(xii, dPsi) - fPsi = self%fPsi(xii) + Xi = 0.D0 + Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + CALL self%fPsi(Xi, fPsi) f = DOT_PRODUCT(fPsi, source) localF = f*fPsi*1.D0*detJ END FUNCTION elemFTetra - PURE FUNCTION insideTetra(xi) RESULT(ins) + PURE FUNCTION insideTetra(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins - ins = xi(1) >= 0.D0 .AND. & - xi(2) >= 0.D0 .AND. & - xi(3) >= 0.D0 .AND. & - 1.D0 - xi(1) - xi(2) - xi(3) >= 0.D0 + ins = Xi(1) >= 0.D0 .AND. & + Xi(2) >= 0.D0 .AND. & + Xi(3) >= 0.D0 .AND. & + 1.D0 - Xi(1) - Xi(2) - Xi(3) >= 0.D0 END FUNCTION insideTetra - PURE FUNCTION gatherEFTetra(self, xi) RESULT(EF) + PURE FUNCTION gatherEFTetra(self, Xi) RESULT(EF) IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: dPsi(1:3, 1:4) REAL(8):: dPsiR(1:3, 1:4) REAL(8):: invJ(1:3, 1:3), detJ @@ -490,9 +489,9 @@ MODULE moduleMesh3DCart self%n3%emData%phi, & self%n4%emData%phi /) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi, dPsi) - invJ = self%invJac(xi, dPsi) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) dPsiR = MATMUL(invJ, dPsi)/detJ EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) @@ -500,11 +499,11 @@ MODULE moduleMesh3DCart END FUNCTION gatherEFTetra - PURE FUNCTION gatherMFTetra(self, xi) RESULT(MF) + PURE FUNCTION gatherMFTetra(self, Xi) RESULT(MF) IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: MF_Nodes(1:4,1:3) REAL(8):: MF(1:3) @@ -522,7 +521,7 @@ MODULE moduleMesh3DCart self%n3%emData%B(3), & self%n4%emData%B(3) /) - fPsi = self%fPsi(xi) + CALL self%fPsi(Xi, fPsi) MF = MATMUL(fPsi, MF_Nodes) END FUNCTION gatherMFTetra @@ -538,37 +537,37 @@ MODULE moduleMesh3DCart END FUNCTION getNodesTetra - PURE FUNCTION phy2logTetra(self,r) RESULT(xi) + PURE FUNCTION phy2logTetra(self,r) RESULT(Xi) IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: invJ(1:3, 1:3), detJ REAL(8):: deltaR(1:3) REAL(8):: dPsi(1:3, 1:4) - xi = 0.D0 + Xi = 0.D0 deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) - dPsi = self%dPsi(xi) - invJ = self%invJac(xi, dPsi) - detJ = self%detJac(xi, dPsi) - xi = MATMUL(invJ, deltaR)/detJ + dPsi = self%dPsi(Xi) + invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, dPsi) + Xi = MATMUL(invJ, deltaR)/detJ END FUNCTION phy2logTetra - SUBROUTINE nextElementTetra(self, xi, nextElement) + SUBROUTINE nextElementTetra(self, Xi, nextElement) IMPLICIT NONE CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement - REAL(8):: xiArray(1:4) + REAL(8):: XiArray(1:4) INTEGER:: nextInt !TODO: Review when connectivity - xiArray = (/ xi(3), 1.D0 - xi(1) - xi(2) - xi(3), xi(2), xi(1) /) - nextInt = MINLOC(xiArray, 1) + XiArray = (/ Xi(3), 1.D0 - Xi(1) - Xi(2) - Xi(3), Xi(2), Xi(1) /) + nextInt = MINLOC(XiArray, 1) NULLIFY(nextElement) SELECT CASE(nextInt) CASE (1) @@ -585,11 +584,11 @@ MODULE moduleMesh3DCart !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 3D !Computes element Jacobian determinant - PURE FUNCTION detJ3DCart(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ3DCart(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshVol3DCart), INTENT(in)::self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:, 1:) REAL(8):: dJ REAL(8), ALLOCATABLE:: dPsi(:,:) @@ -599,7 +598,7 @@ MODULE moduleMesh3DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF @@ -610,11 +609,11 @@ MODULE moduleMesh3DCart END FUNCTION detJ3DCart - PURE FUNCTION invJ3DCart(self,xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ3DCart(self,Xi,dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshVol3DCart), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) REAL(8), ALLOCATABLE:: dPsi(:,:) REAL(8), DIMENSION(1:3):: dx, dy, dz @@ -624,7 +623,7 @@ MODULE moduleMesh3DCart dPsi=dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 05c4b85..11e8bc7 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -211,11 +211,11 @@ MODULE moduleMesh END FUNCTION getNodesVol_interface - PURE FUNCTION fPsi_interface(xi) RESULT(fPsi) + PURE SUBROUTINE fPsi_interface(xi, fPsi) REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8), INTENT(out):: fPsi(:) - END FUNCTION fPsi_interface + END SUBROUTINE fPsi_interface PURE FUNCTION elemK_interface(self) RESULT(localK) IMPORT:: meshVol @@ -496,11 +496,14 @@ MODULE moduleMesh INTEGER:: i, nNodes CLASS(meshNode), POINTER:: node - fPsi = self%fPsi(part%xi) - tensorS = outerProduct(part%v, part%v) - sp = part%species%n volNodes = self%getNodes() nNodes = SIZE(volNodes) + ALLOCATE(fPsi(1:nNodes)) + CALL self%fPsi(part%xi, fPsi) + + tensorS = outerProduct(part%v, part%v) + + sp = part%species%n DO i = 1, nNodes node => mesh%nodes(volNodes(i))%obj From 2486ef63162bc102e0da11fa1461de0289ba0e85 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 5 Jan 2023 16:47:13 +0100 Subject: [PATCH 071/203] Reduction in pushing Reduction in 10-20% of time spend in pushing in 2DCyl thanks to rewriting fPsi and dPsi. --- src/modules/init/moduleInput.f90 | 30 +- src/modules/mesh/0D/moduleMesh0D.f90 | 133 ++-- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 223 +++--- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 223 +++--- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 491 ++++++------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 675 +++++++++--------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 277 ++++--- .../mesh/inout/0D/moduleMeshInput0D.f90 | 8 +- .../mesh/inout/0D/moduleMeshOutput0D.f90 | 2 +- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 24 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 16 +- src/modules/mesh/moduleMesh.f90 | 362 ++++++---- src/modules/mesh/moduleMeshBoundary.f90 | 4 +- src/modules/moduleCollisions.f90 | 1 - src/modules/moduleInject.f90 | 4 +- .../solver/electromagnetic/moduleEM.f90 | 40 +- src/modules/solver/moduleSolver.f90 | 30 +- src/modules/solver/pusher/modulePusher.f90 | 26 +- 18 files changed, 1289 insertions(+), 1280 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index aaf4b08..3ff9e5b 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -337,7 +337,7 @@ MODULE moduleInput !Mean velocity and temperature at particle position REAL(8):: velocityXi(1:3), temperatureXi INTEGER:: nNewPart = 0.D0 - CLASS(meshVol), POINTER:: vol + CLASS(meshCell), POINTER:: vol TYPE(particle), POINTER:: partNew REAL(8):: vTh TYPE(lNode), POINTER:: partCurr, partNext @@ -356,13 +356,13 @@ MODULE moduleInput filename = path // spFile CALL mesh%readInitial(sp, filename, density, velocity, temperature) !For each volume in the node, create corresponding particles - DO e = 1, mesh%numVols + DO e = 1, mesh%numCells !Scale variables !Density at centroid of cell - nodes = mesh%vols(e)%obj%getNodes() - nNodes = SIZE(nodes) + nodes = mesh%cells(e)%obj%getNodes() + nNodes = mesh%cells(e)%obj%nNodes ALLOCATE(fPsi(1:nNodes)) - CALL mesh%vols(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/), fPsi) + fPsi = mesh%cells(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/)) ALLOCATE(source(1:nNodes)) DO j = 1, nNodes source(j) = density(nodes(j)) @@ -371,16 +371,16 @@ MODULE moduleInput densityCen = DOT_PRODUCT(fPsi, source) !Calculate number of particles - nNewPart = INT(densityCen * (mesh%vols(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) + nNewPart = INT(densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) !Allocate new particles DO p = 1, nNewPart ALLOCATE(partNew) partNew%species => species(sp)%obj - partNew%r = mesh%vols(e)%obj%randPos() - partNew%xi = mesh%vols(e)%obj%phy2log(partNew%r) + partNew%r = mesh%cells(e)%obj%randPos() + partNew%xi = mesh%cells(e)%obj%phy2log(partNew%r) !Get mean velocity at particle position - CALL mesh%vols(e)%obj%fPsi(partNew%xi, fPsi) + fPsi = mesh%cells(e)%obj%fPsi(partNew%xi) DO j = 1, nNodes source(j) = velocity(nodes(j), 1) @@ -426,7 +426,7 @@ MODULE moduleInput CALL partInitial%add(partNew) !Assign particle to list in volume - vol => meshforMCC%vols(partNew%volColl)%obj + vol => meshforMCC%cells(partNew%volColl)%obj CALL OMP_SET_LOCK(vol%lock) CALL vol%listPart_in(sp)%add(partNew) vol%totalWeight(sp) = vol%totalWeight(sp) + partNew%weight @@ -643,7 +643,7 @@ MODULE moduleInput REAL(8):: energyThreshold, energyBinding CHARACTER(:), ALLOCATABLE:: electron INTEGER:: e - CLASS(meshVol), POINTER:: vol + CLASS(meshCell), POINTER:: vol !Firstly, checks if the object 'interactions' exists CALL config%info('interactions', found) @@ -739,8 +739,8 @@ MODULE moduleInput END DO !Init the required arrays in each volume to account for MCC. - DO e = 1, meshForMCC%numVols - vol => meshForMCC%vols(e)%obj + DO e = 1, meshForMCC%numCells + vol => meshForMCC%cells(e)%obj !Allocate Maximum cross section per collision pair and assign the initial collision rate ALLOCATE(vol%sigmaVrelMax(1:nCollPairs)) @@ -930,8 +930,8 @@ MODULE moduleInput CALL config%get(object // '.volume', volume, found) !Rescale the volumne IF (found) THEN - mesh%vols(1)%obj%volume = mesh%vols(1)%obj%volume*volume / Vol_ref - mesh%nodes(1)%obj%v = mesh%vols(1)%obj%volume + mesh%cells(1)%obj%volume = mesh%cells(1)%obj%volume*volume / Vol_ref + mesh%nodes(1)%obj%v = mesh%cells(1)%obj%volume END IF diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 0a14520..a57f244 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -11,22 +11,25 @@ MODULE moduleMesh0D END TYPE meshNode0D - TYPE, PUBLIC, EXTENDS(meshVol):: meshVol0D + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell0D CLASS(meshNode), POINTER:: n1 CONTAINS - PROCEDURE, PASS:: init => initVol0D + PROCEDURE, PASS:: init => initCell0D PROCEDURE, PASS:: getNodes => getNodes0D PROCEDURE, PASS:: randPos => randPos0D - PROCEDURE, NOPASS:: fPsi => fPsi0D - PROCEDURE, PASS:: gatherEF => gatherEF0D - PROCEDURE, PASS:: gatherMF => gatherMF0D + PROCEDURE, PASS:: fPsi => fPsi0D + PROCEDURE, PASS:: dPsi => dPsi0D + PROCEDURE, PASS:: detJac => detJ0D + PROCEDURE, PASS:: invJac => invJ0D PROCEDURE, PASS:: elemK => elemK0D PROCEDURE, PASS:: elemF => elemF0D + PROCEDURE, PASS:: gatherElectricField => gatherEF0D + PROCEDURE, PASS:: gatherMagneticField => gatherMF0D PROCEDURE, PASS:: phy2log => phy2log0D PROCEDURE, NOPASS:: inside => inside0D PROCEDURE, PASS:: nextElement => nextElement0D - END TYPE meshVol0D + END TYPE meshCell0D CONTAINS !NODE FUNCTIONS @@ -61,18 +64,20 @@ MODULE moduleMesh0D !VOLUME FUNCTIONS !Inits dummy 0D volume - SUBROUTINE initVol0D(self, n, p, nodes) + SUBROUTINE initCell0D(self, n, p, nodes) USE moduleRefParam USE moduleSpecies IMPLICIT NONE - CLASS(meshVol0D), INTENT(out):: self + CLASS(meshCell0D), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) self%n = n + self%nNodes = SIZE(p) + self%n1 => nodes(p(1))%obj self%volume = 1.D0 self%n1%v = 1.D0 @@ -82,15 +87,13 @@ MODULE moduleMesh0D ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVol0D + END SUBROUTINE initCell0D PURE FUNCTION getNodes0D(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) - - ALLOCATE(n(1:1)) + CLASS(meshCell0D), INTENT(in):: self + INTEGER:: n(1:self%nNodes) n = self%n1%n @@ -99,50 +102,65 @@ MODULE moduleMesh0D FUNCTION randPos0D(self) RESULT(r) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self + CLASS(meshCell0D), INTENT(in):: self REAL(8):: r(1:3) r = 0.D0 END FUNCTION randPos0D - PURE SUBROUTINE fPsi0D(xi, fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + PURE FUNCTION fPsi0D(self, Xi) RESULT(fPsi) + IMPLICIT NONE + + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: fPsi(1:self%nNodes) fPsi = 1.D0 - END SUBROUTINE fPsi0D + END FUNCTION fPsi0D - PURE FUNCTION gatherEF0D(self, xi) RESULT(EF) + PURE FUNCTION dPsi0D(self, Xi) RESULT(dPsi) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: EF(1:3) + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: dPsi(1:3,1:self%nNodes) - EF = 0.D0 + dPsi = 0.D0 - END FUNCTION gatherEF0D + END FUNCTION dPsi0D - PURE FUNCTION gatherMF0D(self, xi) RESULT(MF) + PURE FUNCTION detJ0D(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: MF(1:3) + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dJ - MF = 0.D0 + dJ = 0.D0 - END FUNCTION gatherMF0D + END FUNCTION detJ0D + + PURE FUNCTION invJ0D(self, Xi, dPsi_in) RESULT(invJ) + IMPLICIT NONE + + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: invJ(1:3,1:3) + + invJ = 0.D0 + + END FUNCTION invJ0D PURE FUNCTION elemK0D(self) RESULT(localK) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell0D), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) - ALLOCATE(localK(1:1, 1:1)) localK = 0.D0 END FUNCTION elemK0D @@ -150,19 +168,48 @@ MODULE moduleMesh0D PURE FUNCTION elemF0D(self, source) RESULT(localF) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) - ALLOCATE(localF(1:1)) localF = 0.D0 END FUNCTION elemF0D + PURE FUNCTION gatherEF0D(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:1) + + phi = (/ self%n1%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEF0D + + PURE FUNCTION gatherMF0D(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:1,1:3) + + B(:,1) = (/ self%n1%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMF0D + PURE FUNCTION phy2log0D(self,r) RESULT(xN) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self + CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: xN(1:3) @@ -170,21 +217,21 @@ MODULE moduleMesh0D END FUNCTION phy2log0D - PURE FUNCTION inside0D(xi) RESULT(ins) + PURE FUNCTION inside0D(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins ins = .TRUE. END FUNCTION inside0D - SUBROUTINE nextElement0D(self, xi, nextElement) + SUBROUTINE nextElement0D(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol0D), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + CLASS(meshCell0D), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement nextElement => NULL() diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 3380cf0..0f46ba5 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -8,7 +8,7 @@ MODULE moduleMesh1DCart IMPLICIT NONE REAL(8), PARAMETER:: corSeg(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) - REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) + REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DCart !Element coordinates @@ -32,33 +32,26 @@ MODULE moduleMesh1DCart END TYPE meshEdge1DCart - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol1DCart + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell1DCart CONTAINS PROCEDURE, PASS:: detJac => detJ1DCart PROCEDURE, PASS:: invJac => invJ1DCart - PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - END TYPE meshVol1DCart + END TYPE meshCell1DCart ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) - - END FUNCTION dPsi_interface - PURE SUBROUTINE partialDer_interface(self, dPsi, dx) - IMPORT meshVol1DCart - CLASS(meshVol1DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + IMPORT meshCell1DCart + CLASS(meshCell1DCart), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx END SUBROUTINE partialDer_interface END INTERFACE - TYPE, PUBLIC, EXTENDS(meshVol1DCart):: meshVol1DCartSegm + TYPE, PUBLIC, EXTENDS(meshCell1DCart):: meshCell1DCartSegm !Element coordinates REAL(8):: x(1:2) !Connectivity to nodes @@ -67,22 +60,22 @@ MODULE moduleMesh1DCart CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS - PROCEDURE, PASS:: init => initVol1DCartSegm - PROCEDURE, PASS:: randPos => randPos1DCartSeg + PROCEDURE, PASS:: init => initCell1DCartSegm + PROCEDURE, PASS:: randPos => randPos1DCartSegm PROCEDURE, PASS:: area => areaSegm - PROCEDURE, NOPASS:: fPsi => fPsiSegm - PROCEDURE, NOPASS:: dPsi => dPsiSegm + PROCEDURE, PASS:: fPsi => fPsiSegm + PROCEDURE, PASS:: dPsi => dPsiSegm PROCEDURE, PASS:: partialDer => partialDerSegm PROCEDURE, PASS:: elemK => elemKSegm PROCEDURE, PASS:: elemF => elemFSegm + PROCEDURE, PASS:: gatherElectricField => gatherEFSegm + PROCEDURE, PASS:: gatherMagneticField => gatherMFSegm PROCEDURE, NOPASS:: inside => insideSegm - PROCEDURE, PASS:: gatherEF => gatherEFSegm - PROCEDURE, PASS:: gatherMF => gatherMFSegm PROCEDURE, PASS:: getNodes => getNodesSegm PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: nextElement => nextElementSegm - END TYPE meshVol1DCartSegm + END TYPE meshCell1DCartSegm CONTAINS !NODE FUNCTIONS @@ -193,17 +186,18 @@ MODULE moduleMesh1DCart !VOLUME FUNCTIONS !SEGMENT FUNCTIONS !Init segment element - SUBROUTINE initVol1DCartSegm(self, n, p, nodes) + SUBROUTINE initCell1DCartSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(out):: self + CLASS(meshCell1DCartSegm), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2 self%n = n + self%nNodes = SIZE(p) self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj !Get element coordinates @@ -221,14 +215,14 @@ MODULE moduleMesh1DCart ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVol1DCartSegm + END SUBROUTINE initCell1DCartSegm !Calculates a random position in 1D volume - FUNCTION randPos1DCartSeg(self) RESULT(r) + FUNCTION randPos1DCartSegm(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self + CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) REAL(8), ALLOCATABLE:: fPsi(:) @@ -236,16 +230,16 @@ MODULE moduleMesh1DCart Xi(1) = random(-1.D0, 1.D0) Xi(2:3) = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%x) - END FUNCTION randPos1DCartSeg + END FUNCTION randPos1DCartSegm !Computes element area PURE SUBROUTINE areaSegm(self) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(inout):: self + CLASS(meshCell1DCartSegm), INTENT(inout):: self REAL(8):: l !element length REAL(8):: fPsi(1:2) REAL(8):: detJ @@ -255,7 +249,7 @@ MODULE moduleMesh1DCart self%arNodes = 0.D0 !1 point Gauss integral Xi = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) detJ = self%detJac(Xi) l = 2.D0*detJ self%volume = l @@ -264,26 +258,29 @@ MODULE moduleMesh1DCart END SUBROUTINE areaSegm !Computes element functions at point Xi - PURE SUBROUTINE fPsiSegm(xi, fPsi) + PURE FUNCTION fPsiSegm(self, xi) RESULT(fPsi) IMPLICIT NONE + CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + REAL(8):: fPsi(1:self%nNodes) fPsi(1) = 1.D0 - xi(1) fPsi(2) = 1.D0 + xi(1) + fPsi = fPsi * 5.D-1 - END SUBROUTINE fPsiSegm + END FUNCTION fPsiSegm !Computes element derivative shape function at Xi - PURE FUNCTION dPsiSegm(xi) RESULT(dPsi) + PURE FUNCTION dPsiSegm(self, xi) RESULT(dPsi) IMPLICIT NONE + CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:1, 1:2)) + dPsi = 0.D0 dPsi(1, 1) = -5.D-1 dPsi(1, 2) = 5.D-1 @@ -294,8 +291,8 @@ MODULE moduleMesh1DCart PURE SUBROUTINE partialDerSegm(self, dPsi, dx) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) @@ -306,14 +303,13 @@ MODULE moduleMesh1DCart PURE FUNCTION elemKSegm(self) RESULT(localK) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell1DCartSegm), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) REAL(8):: Xi(1:3) - REAL(8):: dPsi(1:1, 1:2) - REAL(8):: invJ(1), detJ + REAL(8):: dPsi(1:3, 1:2) + REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l - ALLOCATE(localK(1:2,1:2)) localK = 0.D0 Xi = 0.D0 DO l = 1, 3 @@ -332,22 +328,21 @@ MODULE moduleMesh1DCart PURE FUNCTION elemFSegm(self, source) RESULT(localF) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:2) REAL(8):: detJ, f REAL(8):: Xi(1:3) INTEGER:: l - ALLOCATE(localF(1:2)) localF = 0.D0 Xi = 0.D0 DO l = 1, 3 Xi(1) = corSeg(l) detJ = self%detJac(Xi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wSeg(l)*detJ @@ -355,6 +350,40 @@ MODULE moduleMesh1DCart END FUNCTION elemFSegm + PURE FUNCTION gatherEFSegm(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:2) + + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEFSegm + + PURE FUNCTION gatherMFSegm(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell1DCartSegm), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:2,1:3) + + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMFSegm + PURE FUNCTION insideSegm(xi) RESULT(ins) IMPLICIT NONE @@ -366,58 +395,13 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm - !Gathers EF at position Xi - PURE FUNCTION gatherEFSegm(self, xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1, 1:2) - REAL(8):: phi(1:2) - REAL(8):: EF(1:3) - REAL(8):: invJ - - phi = (/ self%n1%emData%phi, & - self%n2%emData%phi /) - - dPsi = self%dPsi(xi) - invJ = self%invJac(xi, dPsi) - EF(1) = -DOT_PRODUCT(dPsi(1, :), phi)*invJ - EF(2) = 0.D0 - EF(3) = 0.D0 - - END FUNCTION gatherEFSegm - - PURE FUNCTION gatherMFSegm(self, xi) RESULT(MF) - IMPLICIT NONE - - CLASS(meshVol1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:2) - REAL(8):: MF_Nodes(1:2, 1:3) - REAL(8):: MF(1:3) - REAL(8):: invJ - - MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & - self%n2%emData%B(1) /) - MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & - self%n2%emData%B(2) /) - MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & - self%n2%emData%B(3) /) - - CALL self%fPsi(xi, fPsi) - MF = MATMUL(fPsi, MF_Nodes) - - END FUNCTION gatherMFSegm - !Get nodes from 1D volume PURE FUNCTION getNodesSegm(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell1DCartSegm), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:2)) n = (/ self%n1%n, self%n2%n /) END FUNCTION getNodesSegm @@ -425,7 +409,7 @@ MODULE moduleMesh1DCart PURE FUNCTION phy2logSegm(self, r) RESULT(xN) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self + CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: xN(1:3) @@ -438,7 +422,7 @@ MODULE moduleMesh1DCart SUBROUTINE nextElementSegm(self, xi, nextElement) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(in):: self + CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement @@ -459,10 +443,10 @@ MODULE moduleMesh1DCart PURE FUNCTION detJ1DCart(self, xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol1DCart), INTENT(in):: self + CLASS(meshCell1DCart), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ REAL(8):: dx(1) @@ -483,12 +467,12 @@ MODULE moduleMesh1DCart PURE FUNCTION invJ1DCart(self, xi, dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVol1DCart), INTENT(in):: self + CLASS(meshCell1DCart), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: invJ(1:3,1:3) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1) - REAL(8):: invJ IF (PRESENT(dPsi_in)) THEN dPsi = dPsi_in @@ -498,8 +482,11 @@ MODULE moduleMesh1DCart END IF + invJ = 0.D0 + CALL self%partialDer(dPsi, dx) - invJ = 1.D0/dx(1) + + invJ(1,1) = 1.D0/dx(1) END FUNCTION invJ1DCart @@ -509,11 +496,11 @@ MODULE moduleMesh1DCart CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et - DO e = 1, self%numVols + DO e = 1, self%numCells !Connect Vol-Vol - DO et = 1, self%numVols + DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -523,7 +510,7 @@ MODULE moduleMesh1DCart TYPE IS(meshParticles) !Connect Vol-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -536,13 +523,13 @@ MODULE moduleMesh1DCart SUBROUTINE connectVolVol(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB + CLASS(meshCell), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVol1DCartSegm) + TYPE IS(meshCell1DCartSegm) SELECT TYPE(elemB) - TYPE IS(meshVol1DCartSegm) + TYPE IS(meshCell1DCartSegm) CALL connectSegmSegm(elemA, elemB) END SELECT @@ -554,8 +541,8 @@ MODULE moduleMesh1DCart SUBROUTINE connectSegmSegm(elemA, elemB) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemB + CLASS(meshCell1DCartSegm), INTENT(inout), TARGET:: elemA + CLASS(meshCell1DCartSegm), INTENT(inout), TARGET:: elemB IF (.NOT. ASSOCIATED(elemA%e1) .AND. & elemA%n2%n == elemB%n1%n) THEN @@ -577,11 +564,11 @@ MODULE moduleMesh1DCart SUBROUTINE connectVolEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemA CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS (meshVol1DCartSegm) + TYPE IS (meshCell1DCartSegm) SELECT TYPE(elemB) CLASS IS(meshEdge1DCart) CALL connectSegmEdge(elemA, elemB) @@ -595,7 +582,7 @@ MODULE moduleMesh1DCart SUBROUTINE connectSegmEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol1DCartSegm), INTENT(inout), TARGET:: elemA + CLASS(meshCell1DCartSegm), INTENT(inout), TARGET:: elemA CLASS(meshEdge1DCart), INTENT(inout), TARGET:: elemB IF (.NOT. ASSOCIATED(elemA%e1) .AND. & diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 7b09e5b..8ebac17 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -32,34 +32,27 @@ MODULE moduleMesh1DRad END TYPE meshEdge1DRad - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol1DRad + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell1DRad CONTAINS PROCEDURE, PASS:: detJac => detJ1DRad PROCEDURE, PASS:: invJac => invJ1DRad - PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - END TYPE meshVol1DRad + END TYPE meshCell1DRad ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) - - END FUNCTION dPsi_interface - PURE SUBROUTINE partialDer_interface(self, dPsi, dx) - IMPORT meshVol1DRad + IMPORT meshCell1DRad - CLASS(meshVol1DRad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell1DRad), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx END SUBROUTINE partialDer_interface END INTERFACE - TYPE, PUBLIC, EXTENDS(meshVol1DRad):: meshVol1DRadSegm + TYPE, PUBLIC, EXTENDS(meshCell1DRad):: meshCell1DRadSegm !Element coordinates REAL(8):: r(1:2) !Connectivity to nodes @@ -68,22 +61,22 @@ MODULE moduleMesh1DRad CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS - PROCEDURE, PASS:: init => initVol1DRadSegm + PROCEDURE, PASS:: init => initCell1DRadSegm PROCEDURE, PASS:: randPos => randPos1DRadSeg PROCEDURE, PASS:: area => areaRad - PROCEDURE, NOPASS:: fPsi => fPsiRad - PROCEDURE, NOPASS:: dPsi => dPsiRad + PROCEDURE, PASS:: fPsi => fPsiRad + PROCEDURE, PASS:: dPsi => dPsiRad PROCEDURE, PASS:: partialDer => partialDerRad PROCEDURE, PASS:: elemK => elemKRad PROCEDURE, PASS:: elemF => elemFRad + PROCEDURE, PASS:: gatherElectricField => gatherEFRad + PROCEDURE, PASS:: gatherMagneticField => gatherMFRad PROCEDURE, NOPASS:: inside => insideRad - PROCEDURE, PASS:: gatherEF => gatherEFRad - PROCEDURE, PASS:: gatherMF => gatherMFRad PROCEDURE, PASS:: getNodes => getNodesRad PROCEDURE, PASS:: phy2log => phy2logRad PROCEDURE, PASS:: nextElement => nextElementRad - END TYPE meshVol1DRadSegm + END TYPE meshCell1DRadSegm CONTAINS !NODE FUNCTIONS @@ -195,17 +188,18 @@ MODULE moduleMesh1DRad !VOLUME FUNCTIONS !SEGMENT FUNCTIONS !Init segment element - SUBROUTINE initVol1DRadSegm(self, n, p, nodes) + SUBROUTINE initCell1DRadSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(out):: self + CLASS(meshCell1DRadSegm), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2 self%n = n + self%nNodes = SIZE(p) self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj !Get element coordinates @@ -223,22 +217,22 @@ MODULE moduleMesh1DRad ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVol1DRadSegm + END SUBROUTINE initCell1DRadSegm !Calculates a random position in 1D volume FUNCTION randPos1DRadSeg(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self + CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: fPsi(1:2) Xi(1) = random(-1.D0, 1.D0) Xi(2:3) = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%r) END FUNCTION randPos1DRadSeg @@ -247,7 +241,7 @@ MODULE moduleMesh1DRad PURE SUBROUTINE areaRad(self) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(inout):: self + CLASS(meshCell1DRadSegm), INTENT(inout):: self REAL(8):: l !element length REAL(8):: fPsi(1:2), fPsi_node(1:2) REAL(8):: r @@ -258,7 +252,7 @@ MODULE moduleMesh1DRad self%arNodes = 0.D0 !1 point Gauss integral Xi = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) detJ = self%detJac(Xi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) @@ -266,37 +260,40 @@ MODULE moduleMesh1DRad self%volume = r*l !Computes volume per node Xi = (/-5.D-1, 0.D0, 0.D0/) - CALL self%fPsi(Xi, fPsi_node) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(1) = fPsi(1)*r*l Xi = (/ 5.D-1, 0.D0, 0.D0/) - CALL self%fPsi(Xi, fPsi_node) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad !Computes element functions at point Xi - PURE SUBROUTINE fPsiRad(xi, fPsi) + PURE FUNCTION fPsiRad(self, xi) RESULT(fPsi) IMPLICIT NONE + CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + REAL(8):: fPsi(1:self%nNodes) fPsi(1) = 1.D0 - xi(1) fPsi(2) = 1.D0 + xi(1) + fPsi = fPsi * 5.D-1 - END SUBROUTINE fPsiRad + END FUNCTION fPsiRad !Computes element derivative shape function at Xi - PURE FUNCTION dPsiRad(xi) RESULT(dPsi) + PURE FUNCTION dPsiRad(self, xi) RESULT(dPsi) IMPLICIT NONE + CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:1, 1:2)) + dPsi = 0.D0 dPsi(1, 1) = -5.D-1 dPsi(1, 2) = 5.D-1 @@ -307,8 +304,8 @@ MODULE moduleMesh1DRad PURE SUBROUTINE partialDerRad(self, dPsi, dx) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx dx(1) = DOT_PRODUCT(dPsi(1,:), self%r) @@ -320,15 +317,14 @@ MODULE moduleMesh1DRad USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell1DRadSegm), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) REAL(8):: Xi(1:3) - REAL(8):: dPsi(1:1, 1:2) - REAL(8):: invJ(1), detJ + REAL(8):: dPsi(1:3, 1:2) + REAL(8):: invJ(1:3,1:3), detJ REAL(8):: r, fPsi(1:2) INTEGER:: l - ALLOCATE(localK(1:2, 1:2)) localK = 0.D0 Xi = 0.D0 DO l = 1, 3 @@ -336,7 +332,7 @@ MODULE moduleMesh1DRad dPsi = self%dPsi(Xi) detJ = self%detJac(Xi, dPsi) invJ = self%invJac(Xi, dPsi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r = DOT_PRODUCT(fPsi, self%r) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & @@ -352,22 +348,21 @@ MODULE moduleMesh1DRad USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:2) REAL(8):: detJ, f, r REAL(8):: Xi(1:3) INTEGER:: l - ALLOCATE(localF(1:2)) localF = 0.D0 Xi = 0.D0 DO l = 1, 3 Xi(1) = corSeg(l) detJ = self%detJac(Xi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r = DOT_PRODUCT(fPsi, self%r) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*r*wSeg(l)*detJ @@ -376,6 +371,40 @@ MODULE moduleMesh1DRad END FUNCTION elemFRad + PURE FUNCTION gatherEFRad(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:2) + + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEFRad + + PURE FUNCTION gatherMFRad(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell1DRadSegm), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:2,1:3) + + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMFRad + PURE FUNCTION insideRad(xi) RESULT(ins) IMPLICIT NONE @@ -387,58 +416,13 @@ MODULE moduleMesh1DRad END FUNCTION insideRad - !Gathers EF at position Xi - PURE FUNCTION gatherEFRad(self, xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1, 1:2) - REAL(8):: phi(1:2) - REAL(8):: EF(1:3) - REAL(8):: invJ - - phi = (/ self%n1%emData%phi, & - self%n2%emData%phi /) - - dPsi = self%dPsi(xi) - invJ = self%invJac(xi, dPsi) - EF(1) = -DOT_PRODUCT(dPsi(1, :), phi)*invJ - EF(2) = 0.D0 - EF(3) = 0.D0 - - END FUNCTION gatherEFRad - - PURE FUNCTION gatherMFRad(self, xi) RESULT(MF) - IMPLICIT NONE - - CLASS(meshVol1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:2) - REAL(8):: MF_Nodes(1:2, 1:3) - REAL(8):: MF(1:3) - REAL(8):: invJ - - MF_Nodes(1:2,1) = (/ self%n1%emData%B(1), & - self%n2%emData%B(1) /) - MF_Nodes(1:2,2) = (/ self%n1%emData%B(2), & - self%n2%emData%B(2) /) - MF_Nodes(1:2,3) = (/ self%n1%emData%B(3), & - self%n2%emData%B(3) /) - - CALL self%fPsi(xi, fPsi) - MF = MATMUL(fPsi, MF_Nodes) - - END FUNCTION gatherMFRad - !Get nodes from 1D volume PURE FUNCTION getNodesRad(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell1DRadSegm), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:2)) n = (/ self%n1%n, self%n2%n /) END FUNCTION getNodesRad @@ -446,7 +430,7 @@ MODULE moduleMesh1DRad PURE FUNCTION phy2logRad(self, r) RESULT(xN) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self + CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: xN(1:3) @@ -459,7 +443,7 @@ MODULE moduleMesh1DRad SUBROUTINE nextElementRad(self, xi, nextElement) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(in):: self + CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement @@ -479,10 +463,10 @@ MODULE moduleMesh1DRad PURE FUNCTION detJ1DRad(self, xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol1DRad), INTENT(in):: self + CLASS(meshCell1DRad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ REAL(8):: dx(1) @@ -503,12 +487,12 @@ MODULE moduleMesh1DRad PURE FUNCTION invJ1DRad(self, xi, dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVol1DRad), INTENT(in):: self + CLASS(meshCell1DRad), INTENT(in):: self REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1) - REAL(8):: invJ + REAL(8):: invJ(1:3,1:3) IF (PRESENT(dPsi_in)) THEN dPsi = dPsi_in @@ -518,8 +502,11 @@ MODULE moduleMesh1DRad END IF + invJ = 0.D0 + CALL self%partialDer(dPsi, dx) - invJ = 1.D0/dx(1) + + invJ(1,1) = 1.D0/dx(1) END FUNCTION invJ1DRad @@ -529,11 +516,11 @@ MODULE moduleMesh1DRad CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et - DO e = 1, self%numVols + DO e = 1, self%numCells !Connect Vol-Vol - DO et = 1, self%numVols + DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -543,7 +530,7 @@ MODULE moduleMesh1DRad TYPE IS(meshParticles) !Connect Vol-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -556,13 +543,13 @@ MODULE moduleMesh1DRad SUBROUTINE connectVolVol(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB + CLASS(meshCell), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVol1DRadSegm) + TYPE IS(meshCell1DRadSegm) SELECT TYPE(elemB) - TYPE IS(meshVol1DRadSegm) + TYPE IS(meshCell1DRadSegm) CALL connectSegmSegm(elemA, elemB) END SELECT @@ -574,8 +561,8 @@ MODULE moduleMesh1DRad SUBROUTINE connectSegmSegm(elemA, elemB) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemB + CLASS(meshCell1DRadSegm), INTENT(inout), TARGET:: elemA + CLASS(meshCell1DRadSegm), INTENT(inout), TARGET:: elemB IF (.NOT. ASSOCIATED(elemA%e1) .AND. & elemA%n2%n == elemB%n1%n) THEN @@ -597,11 +584,11 @@ MODULE moduleMesh1DRad SUBROUTINE connectVolEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemA CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS (meshVol1DRadSegm) + TYPE IS (meshCell1DRadSegm) SELECT TYPE(elemB) CLASS IS(meshEdge1DRad) CALL connectSegmEdge(elemA, elemB) @@ -615,7 +602,7 @@ MODULE moduleMesh1DRad SUBROUTINE connectSegmEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol1DRadSegm), INTENT(inout), TARGET:: elemA + CLASS(meshCell1DRadSegm), INTENT(inout), TARGET:: elemA CLASS(meshEdge1DRad), INTENT(inout), TARGET:: elemB IF (.NOT. ASSOCIATED(elemA%e1) .AND. & diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index c57cecc..13c5901 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -37,26 +37,19 @@ MODULE moduleMesh2DCart END TYPE meshEdge2DCart - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCart + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell2DCart CONTAINS PROCEDURE, PASS:: detJac => detJ2DCart PROCEDURE, PASS:: invJac => invJ2DCart - PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi - PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer + PROCEDURE(partialDer_interface), DEFERRED, PASS, PRIVATE:: partialDer - END TYPE meshVol2DCart + END TYPE meshCell2DCart ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(Xi) RESULT(dPsi) - REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) - - END FUNCTION dPsi_interface - PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy) - IMPORT meshVol2DCart - CLASS(meshVol2DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + IMPORT meshCell2DCart + CLASS(meshCell2DCart), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy END SUBROUTINE partialDer_interface @@ -64,7 +57,7 @@ MODULE moduleMesh2DCart END INTERFACE !Quadrilateral volume element - TYPE, PUBLIC, EXTENDS(meshVol2DCart):: meshVol2DCartQuad + TYPE, PUBLIC, EXTENDS(meshCell2DCart):: meshCell2DCartQuad !Element coordinates REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0 !Connectivity to nodes @@ -73,27 +66,27 @@ MODULE moduleMesh2DCart CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() REAL(8):: arNodes(1:4) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initVolQuad2DCart - PROCEDURE, PASS:: randPos => randPosVolQuad + PROCEDURE, PASS:: init => initCellQuad2DCart + PROCEDURE, PASS:: randPos => randPosCellQuad PROCEDURE, PASS:: area => areaQuad - PROCEDURE, NOPASS:: fPsi => fPsiQuad - PROCEDURE, NOPASS:: dPsi => dPsiQuad - PROCEDURE, NOPASS:: dPsiXi1 => dPsiQuadXi1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiQuadXi2 - PROCEDURE, PASS:: partialDer => partialDerQuad + PROCEDURE, PASS:: fPsi => fPsiQuad + PROCEDURE, PASS:: dPsi => dPsiQuad + PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiQuadXi1 + PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiQuadXi2 + PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad + PROCEDURE, PASS:: gatherElectricField => gatherEFQuad + PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: gatherEF => gatherEFQuad - PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad - END TYPE meshVol2DCartQuad + END TYPE meshCell2DCartQuad !Triangular volume element - TYPE, PUBLIC, EXTENDS(meshVol2DCart):: meshVol2DCartTria + TYPE, PUBLIC, EXTENDS(meshCell2DCart):: meshCell2DCartTria !Element coordinates REAL(8):: x(1:3) = 0.D0, y(1:3) = 0.D0 !Connectivity to nodes @@ -103,24 +96,24 @@ MODULE moduleMesh2DCart REAL(8):: arNodes(1:3) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initVolTria2DCart - PROCEDURE, PASS:: randPos => randPosVolTria + PROCEDURE, PASS:: init => initCellTria2DCart + PROCEDURE, PASS:: randPos => randPosCellTria PROCEDURE, PASS:: area => areaTria - PROCEDURE, NOPASS:: fPsi => fPsiTria - PROCEDURE, NOPASS:: dPsi => dPsiTria + PROCEDURE, PASS:: fPsi => fPsiTria + PROCEDURE, PASS:: dPsi => dPsiTria PROCEDURE, NOPASS:: dPsiXi1 => dPsiTriaXi1 PROCEDURE, NOPASS:: dPsiXi2 => dPsiTriaXi2 PROCEDURE, PASS:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria + PROCEDURE, PASS:: gatherElectricField => gatherEFTria + PROCEDURE, PASS:: gatherMagneticField => gatherMFTria PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: gatherEF => gatherEFTria - PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria - END TYPE meshVol2DCartTria + END TYPE meshCell2DCartTria CONTAINS !NODE FUNCTIONS @@ -204,26 +197,26 @@ MODULE moduleMesh2DCart END SUBROUTINE initEdge2DCart !Random position in quadrilateral volume - FUNCTION randPosVolQuad(self) RESULT(r) + FUNCTION randPosCellQuad(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self + CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: fPsi(1:4) Xi(1) = random(-1.D0, 1.D0) Xi(2) = random(-1.D0, 1.D0) Xi(3) = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) r(3) = 0.D0 - END FUNCTION randposVolQuad + END FUNCTION randposCellQuad !Get nodes from edge PURE FUNCTION getNodes2DCart(self) RESULT(n) @@ -232,7 +225,6 @@ MODULE moduleMesh2DCart CLASS(meshEdge2DCart), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) - ALLOCATE(n(1:2)) n = (/self%n1%n, self%n2%n /) END FUNCTION getNodes2DCart @@ -277,17 +269,18 @@ MODULE moduleMesh2DCart !VOLUME FUNCTIONS !QUAD FUNCTIONS !Inits quadrilateral element - SUBROUTINE initVolQuad2DCart(self, n, p, nodes) + SUBROUTINE initCellQuad2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(out):: self + CLASS(meshCell2DCartQuad), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 self%n = n + self%nNodes = SIZE(p) self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -312,13 +305,13 @@ MODULE moduleMesh2DCart ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVolQuad2DCart + END SUBROUTINE initCellQuad2DCart !Computes element area PURE SUBROUTINE areaQuad(self) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(inout):: self + CLASS(meshCell2DCartQuad), INTENT(inout):: self REAL(8):: Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:4) @@ -328,18 +321,19 @@ MODULE moduleMesh2DCart !2D 1 point Gauss Quad Integral Xi = 0.D0 detJ = self%detJac(Xi)*4.D0 !4 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaQuad !Computes element functions in point Xi - PURE SUBROUTINE fPsiQuad(Xi, fPsi) + PURE FUNCTION fPsiQuad(self, Xi) RESULT(fPsi) IMPLICIT NONE + CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + REAL(8):: fPsi(1:self%nNodes) fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) @@ -348,16 +342,17 @@ MODULE moduleMesh2DCart fPsi = fPsi*0.25D0 - END SUBROUTINE fPsiQuad + END FUNCTION fPsiQuad !Derivative element function at coordinates Xi - PURE FUNCTION dPsiQuad(Xi) RESULT(dPsi) + PURE FUNCTION dPsiQuad(self, Xi) RESULT(dPsi) IMPLICIT NONE + CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:2,1:4)) + dPsi = 0.D0 dPsi(1,:) = dPsiQuadXi1(Xi(2)) dPsi(2,:) = dPsiQuadXi2(Xi(1)) @@ -397,8 +392,8 @@ MODULE moduleMesh2DCart PURE SUBROUTINE partialDerQuad(self, dPsi, dx, dy) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) @@ -412,14 +407,13 @@ MODULE moduleMesh2DCart PURE FUNCTION elemKQuad(self) RESULT(localK) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:2,1:4) - REAL(8):: invJ(1:2,1:2), detJ + REAL(8):: fPsi(1:4), dPsi(1:3,1:4) + REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l, m - ALLOCATE(localK(1:4, 1:4)) localK=0.D0 Xi=0.D0 !Start 2D Gauss Quad Integral @@ -429,7 +423,7 @@ MODULE moduleMesh2DCart DO m = 1, 3 Xi(1) = corQuad(m) dPsi(2,:) = self%dPsiXi2(Xi(1)) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ @@ -443,15 +437,14 @@ MODULE moduleMesh2DCart PURE FUNCTION elemFQuad(self, source) RESULT(localF) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: detJ, f INTEGER:: l, m - ALLOCATE(localF(1:4)) localF = 0.D0 Xi = 0.D0 DO l=1, 3 @@ -459,7 +452,7 @@ MODULE moduleMesh2DCart DO m = 1, 3 Xi(2) = corQuad(m) detJ = self%detJac(Xi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -468,6 +461,48 @@ MODULE moduleMesh2DCart END FUNCTION elemFQuad + PURE FUNCTION gatherEFQuad(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:4) + + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi, & + self%n4%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEFQuad + + PURE FUNCTION gatherMFQuad(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:4,1:3) + + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMFQuad + !Checks if a particle is inside a quad element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -480,97 +515,42 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad - !Gathers the electric field at position Xi - PURE FUNCTION gatherEFQuad(self,Xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:2,1:4) - REAL(8):: dPsiR(1:2,1:4)!Derivative of shpae functions in global coordinates - REAL(8):: invJ(1:2,1:2), detJ - REAL(8):: phi(1:4) - REAL(8):: EF(1:3) - - phi = (/self%n1%emData%phi, & - self%n2%emData%phi, & - self%n3%emData%phi, & - self%n4%emData%phi /) - - dPsi = self%dPsi(Xi) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) - dPsiR = MATMUL(invJ, dPsi)/detJ - EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) - EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) - EF(3) = 0.D0 - - END FUNCTION gatherEFQuad - - PURE FUNCTION gatherMFQuad(self,Xi) RESULT(MF) - IMPLICIT NONE - - CLASS(meshVol2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:4) - REAL(8):: MF_Nodes(1:4,1:3) - REAL(8):: MF(1:3) - - MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & - self%n2%emData%B(1), & - self%n3%emData%B(1), & - self%n4%emData%B(1) /) - MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & - self%n2%emData%B(2), & - self%n3%emData%B(2), & - self%n4%emData%B(2) /) - MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & - self%n2%emData%B(3), & - self%n3%emData%B(3), & - self%n4%emData%B(3) /) - - CALL self%fPsi(Xi, fPsi) - MF = MATMUL(fPsi(:), MF_Nodes) - - END FUNCTION gatherMFQuad - !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell2DCartQuad), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:4)) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) END FUNCTION getNodesQuad !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logQuad(self,r) RESULT(XiN) + PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self + CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: XiN(1:3) + REAL(8):: Xi(1:3) REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) - REAL(8):: dPsi(1:2,1:4), fPsi(1:4) + REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates conv=1.D0 XiO=0.D0 - DO WHILE(conv>1.D-4) + DO WHILE(conv>1.D-3) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) - CALL self%fPsi(XiO, fPsi) + fPsi = self%fPsi(XiO) f(1) = DOT_PRODUCT(fPsi,self%x)-r(1) f(2) = DOT_PRODUCT(fPsi,self%y)-r(2) detJ = self%detJac(XiO,dPsi) - XiN(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ - conv=MAXVAL(DABS(XiN-XiO),1) - XiO=XiN + Xi(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ + conv=MAXVAL(DABS(Xi-XiO),1) + XiO=Xi END DO @@ -580,7 +560,7 @@ MODULE moduleMesh2DCart SUBROUTINE nextElementQuad(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(in):: self + CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: XiArray(1:4) @@ -605,11 +585,11 @@ MODULE moduleMesh2DCart !TRIA ELEMENT !Init tria element - SUBROUTINE initVolTria2DCart(self, n, p, nodes) + SUBROUTINE initCellTria2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(out):: self + CLASS(meshCell2DCartTria), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) @@ -618,6 +598,9 @@ MODULE moduleMesh2DCart !Assign node index self%n = n + !Assign number of nodes of cell + self%nNodes = SIZE(p) + !Assign nodes to element self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj @@ -639,14 +622,14 @@ MODULE moduleMesh2DCart ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVolTria2DCart + END SUBROUTINE initCellTria2DCart !Random position in quadrilateral volume - FUNCTION randPosVolTria(self) RESULT(r) + FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self + CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:3) @@ -655,19 +638,19 @@ MODULE moduleMesh2DCart Xi(2) = random( 0.D0, 1.D0 - Xi(1)) Xi(3) = 0.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) r(3) = 0.D0 - END FUNCTION randposVolTria + END FUNCTION randposCellTria !Calculates area for triangular element PURE SUBROUTINE areaTria(self) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(inout):: self + CLASS(meshCell2DCartTria), INTENT(inout):: self REAL(8):: Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:3) @@ -677,33 +660,35 @@ MODULE moduleMesh2DCart !2D 1 point Gauss Quad Integral Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(Xi)/2.D0 - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaTria !Shape functions for triangular element - PURE SUBROUTINE fPsiTria(Xi, fPsi) + PURE FUNCTION fPsiTria(self, Xi) RESULT(fPsi) IMPLICIT NONE + CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + REAL(8):: fPsi(1:self%nNodes) fPsi(1) = 1.D0 - Xi(1) - Xi(2) fPsi(2) = Xi(1) fPsi(3) = Xi(2) - END SUBROUTINE fPsiTria + END FUNCTION fPsiTria !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTria(Xi) RESULT(dPsi) + PURE FUNCTION dPsiTria(self, Xi) RESULT(dPsi) IMPLICIT NONE + CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:2,1:3)) + dPsi = 0.D0 dPsi(1,:) = dPsiTriaXi1(Xi(2)) dPsi(2,:) = dPsiTriaXi2(Xi(1)) @@ -739,8 +724,8 @@ MODULE moduleMesh2DCart PURE SUBROUTINE partialDerTria(self, dPsi, dx, dy) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) @@ -754,14 +739,13 @@ MODULE moduleMesh2DCart PURE FUNCTION elemKTria(self) RESULT(localK) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell2DCartTria), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:3), dPsi(1:2,1:3) - REAL(8):: invJ(1:2,1:2), detJ + REAL(8):: fPsi(1:3), dPsi(1:3,1:3) + REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l - ALLOCATE(localK(1:4, 1:4)) localK=0.D0 Xi=0.D0 !Start 2D Gauss Quad Integral @@ -771,7 +755,7 @@ MODULE moduleMesh2DCart dPsi = self%dPsi(Xi) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -782,15 +766,14 @@ MODULE moduleMesh2DCart PURE FUNCTION elemFTria(self, source) RESULT(localF) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:3) REAL(8):: Xi(1:3) REAL(8):: detJ, f INTEGER:: l - ALLOCATE(localF(1:3)) localF = 0.D0 Xi = 0.D0 !Start 2D Gauss Quad Integral @@ -798,7 +781,7 @@ MODULE moduleMesh2DCart Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) detJ = self%detJac(Xi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wTria(l)*detJ @@ -806,6 +789,44 @@ MODULE moduleMesh2DCart END FUNCTION elemFTria + PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:3) + + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEFTria + + PURE FUNCTION gatherMFTria(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell2DCartTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:3,1:3) + + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMFTria + PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE @@ -818,64 +839,13 @@ MODULE moduleMesh2DCart END FUNCTION insideTria - !Gathers the electric field at position Xi - PURE FUNCTION gatherEFTria(self,Xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:2,1:3) - REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates - REAL(8):: invJ(1:2,1:2), detJ - REAL(8):: phi(1:3) - REAL(8):: EF(1:3) - - phi = (/self%n1%emData%phi, & - self%n2%emData%phi, & - self%n3%emData%phi /) - - dPsi = self%dPsi(Xi) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) - dPsiR = MATMUL(invJ, dPsi)/detJ - EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) - EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) - EF(3) = 0.D0 - - END FUNCTION gatherEFTria - - PURE FUNCTION gatherMFTria(self,Xi) RESULT(MF) - IMPLICIT NONE - - CLASS(meshVol2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:3) - REAL(8):: MF_Nodes(1:3,1:3) - REAL(8):: MF(1:3) - - MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & - self%n2%emData%B(1), & - self%n3%emData%B(1) /) - MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & - self%n2%emData%B(2), & - self%n3%emData%B(2) /) - MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & - self%n2%emData%B(3), & - self%n3%emData%B(3) /) - - CALL self%fPsi(Xi, fPsi) - MF = MATMUL(fPsi, MF_Nodes) - - END FUNCTION gatherMFTria - !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell2DCartTria), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:3)) n = (/self%n1%n, self%n2%n, self%n3%n /) END FUNCTION getNodesTria @@ -884,27 +854,27 @@ MODULE moduleMesh2DCart PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self + CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: invJ(1:2,1:2), detJ - REAL(8):: deltaR(1:2) - REAL(8):: dPsi(1:2,1:3) + REAL(8):: invJ(1:3,1:3), detJ + REAL(8):: deltaR(1:3) + REAL(8):: dPsi(1:3,1:3) !Direct method to convert coordinates - Xi = 0.D0 !Irrelevant, required for input - deltaR = (/ r(1) - self%x(1), r(2) - self%y(1) /) - dPsi = self%dPsi(Xi) - invJ = self%invJac(Xi, dPsi) - detJ = self%detJac(Xi, dPsi) - Xi(1:2) = MATMUL(invJ,deltaR)/detJ + Xi = 0.D0 + deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) + dPsi = self%dPsi(Xi) + invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, dPsi) + Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria SUBROUTINE nextElementTria(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(in):: self + CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: XiArray(1:3) @@ -929,10 +899,10 @@ MODULE moduleMesh2DCart PURE FUNCTION detJ2DCart(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol2DCart), INTENT(in):: self + CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ REAL(8):: dx(1:2), dy(1:2) @@ -953,12 +923,12 @@ MODULE moduleMesh2DCart PURE FUNCTION invJ2DCart(self,Xi,dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVol2DCart), INTENT(in):: self + CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1:2), dy(1:2) - REAL(8):: invJ(1:2,1:2) + REAL(8):: invJ(1:3,1:3) IF(PRESENT(dPsi_in)) THEN dPsi=dPsi_in @@ -968,9 +938,12 @@ MODULE moduleMesh2DCart END IF + invJ = 0.D0 + CALL self%partialDer(dPsi, dx, dy) - invJ(1,:) = (/ dy(2), -dx(2) /) - invJ(2,:) = (/ -dy(1), dx(1) /) + + invJ(1,1:2) = (/ dy(2), -dx(2) /) + invJ(2,1:2) = (/ -dy(1), dx(1) /) END FUNCTION invJ2DCart @@ -980,11 +953,11 @@ MODULE moduleMesh2DCart CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et - DO e = 1, self%numVols - !Connect Vol-Vol - DO et = 1, self%numVols + DO e = 1, self%numCells + !Connect Cell-Cell + DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -992,9 +965,9 @@ MODULE moduleMesh2DCart SELECT TYPE(self) TYPE IS(meshParticles) - !Connect Vol-Edge + !Connect Cell-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -1005,34 +978,34 @@ MODULE moduleMesh2DCart END SUBROUTINE connectMesh2DCart !Selects type of elements to build connection - SUBROUTINE connectVolVol(elemA, elemB) + SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB + CLASS(meshCell), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVol2DCartQuad) + TYPE IS(meshCell2DCartQuad) !Element A is a quadrilateral SELECT TYPE(elemB) - TYPE IS(meshVol2DCartQuad) + TYPE IS(meshCell2DCartQuad) !Element B is a quadrilateral CALL connectQuadQuad(elemA, elemB) - TYPE IS(meshVol2DCartTria) + TYPE IS(meshCell2DCartTria) !Element B is a triangle CALL connectQuadTria(elemA, elemB) END SELECT - TYPE IS(meshVol2DCartTria) + TYPE IS(meshCell2DCartTria) !Element A is a Triangle SELECT TYPE(elemB) - TYPE IS(meshVol2DCartQuad) + TYPE IS(meshCell2DCartQuad) !Element B is a quadrilateral CALL connectQuadTria(elemB, elemA) - TYPE IS(meshVol2DCartTria) + TYPE IS(meshCell2DCartTria) !Element B is a triangle CALL connectTriaTria(elemA, elemB) @@ -1040,22 +1013,22 @@ MODULE moduleMesh2DCart END SELECT - END SUBROUTINE connectVolVol + END SUBROUTINE connectCellCell - SUBROUTINE connectVolEdge(elemA, elemB) + SUBROUTINE connectCellEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemA CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemB) CLASS IS(meshEdge2DCart) SELECT TYPE(elemA) - TYPE IS(meshVol2DCartQuad) + TYPE IS(meshCell2DCartQuad) !Element A is a quadrilateral CALL connectQuadEdge(elemA, elemB) - TYPE IS(meshVol2DCartTria) + TYPE IS(meshCell2DCartTria) !Element A is a triangle CALL connectTriaEdge(elemA, elemB) @@ -1063,13 +1036,13 @@ MODULE moduleMesh2DCart END SELECT - END SUBROUTINE connectVolEdge + END SUBROUTINE connectCellEdge SUBROUTINE connectQuadQuad(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCartQuad), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1) .AND. & @@ -1112,8 +1085,8 @@ MODULE moduleMesh2DCart SUBROUTINE connectQuadTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCartTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -1204,8 +1177,8 @@ MODULE moduleMesh2DCart SUBROUTINE connectTriaTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCartTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -1277,7 +1250,7 @@ MODULE moduleMesh2DCart SUBROUTINE connectQuadEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCartQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCartQuad), INTENT(inout), TARGET:: elemA CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB !Check direction 1 @@ -1361,7 +1334,7 @@ MODULE moduleMesh2DCart SUBROUTINE connectTriaEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCartTria), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCartTria), INTENT(inout), TARGET:: elemA CLASS(meshEdge2DCart), INTENT(inout), TARGET:: elemB !Check direction 1 diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 2869cb3..9032d61 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -1,4 +1,4 @@ -!moduleMesh2DCyl: 2D axial symmetric extension of generic mesh from GMSH format. +!moduleMesh2DCyl: 2D aXial symmetric extension of generic mesh from GMSH format. ! x == z ! y == r ! z == theta (unused) @@ -11,8 +11,8 @@ MODULE moduleMesh2DCyl REAL(8), PARAMETER:: corQuad(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) REAL(8), PARAMETER:: wQuad(1:3) = (/ 5.D0/9.D0, 8.D0/9.D0, 5.D0/9.D0 /) - REAL(8), PARAMETER:: xi1Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 3.D0/5.D0, 1.D0/5.D0 /) - REAL(8), PARAMETER:: xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) + REAL(8), PARAMETER:: Xi1Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 3.D0/5.D0, 1.D0/5.D0 /) + REAL(8), PARAMETER:: Xi2Tria(1:4) = (/ 1.D0/3.D0, 1.D0/5.D0, 1.D0/5.D0, 3.D0/5.D0 /) REAL(8), PARAMETER:: wTria(1:4) = (/ -27.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0, 25.D0/96.D0 /) TYPE, PUBLIC, EXTENDS(meshNode):: meshNode2DCyl @@ -37,26 +37,19 @@ MODULE moduleMesh2DCyl END TYPE meshEdge2DCyl - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol2DCyl + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell2DCyl CONTAINS PROCEDURE, PASS:: detJac => detJ2DCyl PROCEDURE, PASS:: invJac => invJ2DCyl - PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi - PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer + PROCEDURE(partialDer_interface), DEFERRED, PASS, PRIVATE:: partialDer - END TYPE meshVol2DCyl + END TYPE meshCell2DCyl ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(xi) RESULT(dPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) - - END FUNCTION dPsi_interface - PURE SUBROUTINE partialDer_interface(self, dPsi, dz, dr) - IMPORT meshVol2DCyl - CLASS(meshVol2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + IMPORT meshCell2DCyl + CLASS(meshCell2DCyl), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr END SUBROUTINE partialDer_interface @@ -64,7 +57,7 @@ MODULE moduleMesh2DCyl END INTERFACE !Quadrilateral volume element - TYPE, PUBLIC, EXTENDS(meshVol2DCyl):: meshVol2DCylQuad + TYPE, PUBLIC, EXTENDS(meshCell2DCyl):: meshCell2DCylQuad !Element coordinates REAL(8):: r(1:4) = 0.D0, z(1:4) = 0.D0 !Connectivity to nodes @@ -74,27 +67,27 @@ MODULE moduleMesh2DCyl REAL(8):: arNodes(1:4) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initVolQuad2DCyl + PROCEDURE, PASS:: init => initCellQuad2DCyl PROCEDURE, PASS:: randPos => randPosVolQuad PROCEDURE, PASS:: area => areaQuad - PROCEDURE, NOPASS:: fPsi => fPsiQuad - PROCEDURE, NOPASS:: dPsi => dPsiQuad - PROCEDURE, NOPASS:: dPsiXi1 => dPsiQuadXi1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiQuadXi2 - PROCEDURE, PASS:: partialDer => partialDerQuad + PROCEDURE, PASS:: fPsi => fPsiQuad + PROCEDURE, PASS:: dPsi => dPsiQuad + PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiQuadXi1 + PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiQuadXi2 + PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad + PROCEDURE, PASS:: gatherElectricField => gatherEFQuad + PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: gatherEF => gatherEFQuad - PROCEDURE, PASS:: gatherMF => gatherMFQuad PROCEDURE, PASS:: getNodes => getNodesQuad PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: nextElement => nextElementQuad - END TYPE meshVol2DCylQuad + END TYPE meshCell2DCylQuad !Triangular volume element - TYPE, PUBLIC, EXTENDS(meshVol2DCyl):: meshVol2DCylTria + TYPE, PUBLIC, EXTENDS(meshCell2DCyl):: meshCell2DCylTria !Element coordinates REAL(8):: r(1:3) = 0.D0, z(1:3) = 0.D0 !Connectivity to nodes @@ -104,24 +97,24 @@ MODULE moduleMesh2DCyl REAL(8):: arNodes(1:3) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initVolTria2DCyl + PROCEDURE, PASS:: init => initCellTria2DCyl PROCEDURE, PASS:: randPos => randPosVolTria PROCEDURE, PASS:: area => areaTria - PROCEDURE, NOPASS:: fPsi => fPsiTria - PROCEDURE, NOPASS:: dPsi => dPsiTria + PROCEDURE, PASS:: fPsi => fPsiTria + PROCEDURE, PASS:: dPsi => dPsiTria PROCEDURE, NOPASS:: dPsiXi1 => dPsiTriaXi1 PROCEDURE, NOPASS:: dPsiXi2 => dPsiTriaXi2 - PROCEDURE, PASS:: partialDer => partialDerTria + PROCEDURE, PASS, PRIVATE:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria + PROCEDURE, PASS:: gatherElectricField => gatherEFTria + PROCEDURE, PASS:: gatherMagneticField => gatherMFTria PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: gatherEF => gatherEFTria - PROCEDURE, PASS:: gatherMF => gatherMFTria PROCEDURE, PASS:: getNodes => getNodesTria PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: nextElement => nextElementTria - END TYPE meshVol2DCylTria + END TYPE meshCell2DCylTria CONTAINS !NODE FUNCTIONS @@ -265,17 +258,18 @@ MODULE moduleMesh2DCyl !VOLUME FUNCTIONS !QUAD FUNCTIONS !Inits quadrilateral element - SUBROUTINE initVolQuad2DCyl(self, n, p, nodes) + SUBROUTINE initCellQuad2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(out):: self + CLASS(meshCell2DCylQuad), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 self%n = n + self%nNodes = SIZE(p) self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -300,104 +294,106 @@ MODULE moduleMesh2DCyl ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVolQuad2DCyl + END SUBROUTINE initCellQuad2DCyl !Computes element area PURE SUBROUTINE areaQuad(self) USE moduleConstParam, ONLY: PI8 IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(inout):: self - REAL(8):: r, xi(1:3) + CLASS(meshCell2DCylQuad), INTENT(inout):: self + REAL(8):: r, Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:4), fPsi_node(1:4) self%volume = 0.D0 self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral - xi = 0.D0 - detJ = self%detJac(xi)*PI8 !4*2*pi - CALL self%fPsi(xi, fPsi) + Xi = 0.D0 + detJ = self%detJac(Xi)*PI8 !4*2*pi + fPsi = self%fPsi(Xi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ !Computes volume per node - xi = (/-5.D-1, -5.D-1, 0.D0/) - CALL self%fPsi(xi, fPsi_node) + Xi = (/-5.D-1, -5.D-1, 0.D0/) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(1) = fPsi(1)*r*detJ - xi = (/ 5.D-1, -5.D-1, 0.D0/) - CALL self%fPsi(xi, fPsi_node) + Xi = (/ 5.D-1, -5.D-1, 0.D0/) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(2) = fPsi(2)*r*detJ - xi = (/ 5.D-1, 5.D-1, 0.D0/) - CALL self%fPsi(xi, fPsi_node) + Xi = (/ 5.D-1, 5.D-1, 0.D0/) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(3) = fPsi(3)*r*detJ - xi = (/-5.D-1, 5.D-1, 0.D0/) - CALL self%fPsi(xi, fPsi_node) + Xi = (/-5.D-1, 5.D-1, 0.D0/) + fPsi_node = self%fPsi(Xi) r = DOT_PRODUCT(fPsi_node,self%r) self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad - !Computes element functions in point xi - PURE SUBROUTINE fPsiQuad(xi, fPsi) + !Computes element functions in point Xi + PURE FUNCTION fPsiQuad(self, Xi) RESULT(fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: fPsi(1:self%nNodes) - fPsi(1) = (1.D0-xi(1)) * (1.D0-xi(2)) - fPsi(2) = (1.D0+xi(1)) * (1.D0-xi(2)) - fPsi(3) = (1.D0+xi(1)) * (1.D0+xi(2)) - fPsi(4) = (1.D0-xi(1)) * (1.D0+xi(2)) + fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) + fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) + fPsi(3) = (1.D0+Xi(1)) * (1.D0+Xi(2)) + fPsi(4) = (1.D0-Xi(1)) * (1.D0+Xi(2)) fPsi = fPsi*0.25D0 - END SUBROUTINE fPsiQuad + END FUNCTION fPsiQuad - !Derivative element function at coordinates xi - PURE FUNCTION dPsiQuad(xi) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiQuad(self, Xi) RESULT(dPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:2,1:4)) + dPsi = 0.D0 - dPsi(1,:) = dPsiQuadXi1(xi(2)) - dPsi(2,:) = dPsiQuadXi2(xi(1)) + dPsi(1,:) = dPsiQuadXi1(Xi(2)) + dPsi(2,:) = dPsiQuadXi2(Xi(1)) END FUNCTION dPsiQuad - !Derivative element function (xi1) - PURE FUNCTION dPsiQuadXi1(xi2) RESULT(dPsiXi1) + !Derivative element function (Xi1) + PURE FUNCTION dPsiQuadXi1(Xi2) RESULT(dPsiXi1) IMPLICIT NONE - REAL(8),INTENT(in):: xi2 + REAL(8),INTENT(in):: Xi2 REAL(8):: dPsiXi1(1:4) - dPsiXi1(1) = -(1.D0 - xi2) - dPsiXi1(2) = (1.D0 - xi2) - dPsiXi1(3) = (1.D0 + xi2) - dPsiXi1(4) = -(1.D0 + xi2) + dPsiXi1(1) = -(1.D0 - Xi2) + dPsiXi1(2) = (1.D0 - Xi2) + dPsiXi1(3) = (1.D0 + Xi2) + dPsiXi1(4) = -(1.D0 + Xi2) dPsiXi1 = dPsiXi1*0.25D0 END FUNCTION dPsiQuadXi1 - !Derivative element function (xi2) - PURE FUNCTION dPsiQuadXi2(xi1) RESULT(dPsiXi2) + !Derivative element function (Xi2) + PURE FUNCTION dPsiQuadXi2(Xi1) RESULT(dPsiXi2) IMPLICIT NONE - REAL(8),INTENT(in):: xi1 + REAL(8),INTENT(in):: Xi1 REAL(8):: dPsiXi2(1:4) - dPsiXi2(1) = -(1.D0 - xi1) - dPsiXi2(2) = -(1.D0 + xi1) - dPsiXi2(3) = (1.D0 + xi1) - dPsiXi2(4) = (1.D0 - xi1) + dPsiXi2(1) = -(1.D0 - Xi1) + dPsiXi2(2) = -(1.D0 + Xi1) + dPsiXi2(3) = (1.D0 + Xi1) + dPsiXi2(4) = (1.D0 - Xi1) dPsiXi2 = dPsiXi2 * 0.25D0 @@ -407,8 +403,8 @@ MODULE moduleMesh2DCyl PURE SUBROUTINE partialDerQuad(self, dPsi, dz, dr) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr dz(1) = DOT_PRODUCT(dPsi(1,:),self%z) @@ -423,16 +419,16 @@ MODULE moduleMesh2DCyl USE moduleRandom IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self + CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4) - xii(1) = random(-1.D0, 1.D0) - xii(2) = random(-1.D0, 1.D0) - xii(3) = 0.D0 + Xi(1) = random(-1.D0, 1.D0) + Xi(2) = random(-1.D0, 1.D0) + Xi(3) = 0.D0 - CALL self%fPsi(xii, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -445,26 +441,25 @@ MODULE moduleMesh2DCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: r, xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:2,1:4) - REAL(8):: invJ(1:2,1:2), detJ + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) + REAL(8):: r, Xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3,1:4) + REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l, m - ALLOCATE(localK(1:4, 1:4)) localK=0.D0 - xi=0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 3 - xi(2) = corQuad(l) - dPsi(1,:) = self%dPsiXi1(xi(2)) + Xi(2) = corQuad(l) + dPsi(1,:) = self%dPsiXi1(Xi(2)) DO m = 1, 3 - xi(1) = corQuad(m) - dPsi(2,:) = self%dPsiXi2(xi(1)) - CALL self%fPsi(xi, fPsi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) + Xi(1) = corQuad(m) + dPsi(2,:) = self%dPsiXi2(Xi(1)) + fPsi = self%fPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & MATMUL(invJ,dPsi))* & @@ -481,23 +476,22 @@ MODULE moduleMesh2DCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) - REAL(8):: r, xi(1:3) + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) + REAL(8):: r, Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: detJ, f INTEGER:: l, m - ALLOCATE(localF(1:4)) localF = 0.D0 - xi = 0.D0 + Xi = 0.D0 DO l=1, 3 - xi(1) = corQuad(l) + Xi(1) = corQuad(l) DO m = 1, 3 - xi(2) = corQuad(m) - detJ = self%detJac(xi) - CALL self%fPsi(xi, fPsi) + Xi(2) = corQuad(m) + detJ = self%detJac(Xi) + fPsi = self%fPsi(Xi) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -508,93 +502,80 @@ MODULE moduleMesh2DCyl END FUNCTION elemFQuad - !Checks if a particle is inside a quad element - PURE FUNCTION insideQuad(xi) RESULT(ins) + PURE FUNCTION gatherEFQuad(self, Xi) RESULT(array) IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - LOGICAL:: ins - - ins = (xi(1) >= -1.D0 .AND. xi(1) <= 1.D0) .AND. & - (xi(2) >= -1.D0 .AND. xi(2) <= 1.D0) - - END FUNCTION insideQuad - - !Gathers the electric field at position xi - PURE FUNCTION gatherEFQuad(self,xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1:2,1:4) - REAL(8):: dPsiR(1:2,1:4)!Derivative of shpae functions in global coordinates - REAL(8):: invJ(1:2,1:2), detJ + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) REAL(8):: phi(1:4) - REAL(8):: EF(1:3) - phi = (/self%n1%emData%phi, & - self%n2%emData%phi, & - self%n3%emData%phi, & - self%n4%emData%phi /) + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi, & + self%n4%emData%phi /) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - dPsiR = MATMUL(invJ, dPsi)/detJ - EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) - EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) - EF(3) = 0.D0 + array = -self%gatherDF(Xi, phi) END FUNCTION gatherEFQuad - PURE FUNCTION gatherMFQuad(self,xi) RESULT(MF) + PURE FUNCTION gatherMFQuad(self, Xi) RESULT(array) IMPLICIT NONE + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:4,1:3) - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:4) - REAL(8):: MF_Nodes(1:4,1:3) - REAL(8):: MF(1:3) + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) - MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & - self%n2%emData%B(1), & - self%n3%emData%B(1), & - self%n4%emData%B(1) /) - MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & - self%n2%emData%B(2), & - self%n3%emData%B(2), & - self%n4%emData%B(2) /) - MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & - self%n2%emData%B(3), & - self%n3%emData%B(3), & - self%n4%emData%B(3) /) + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) - CALL self%fPsi(xi, fPsi) - MF = MATMUL(fPsi(:), MF_Nodes) + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) END FUNCTION gatherMFQuad + !Checks if a particle is inside a quad element + PURE FUNCTION insideQuad(Xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + LOGICAL:: ins + + ins = (Xi(1) >= -1.D0 .AND. Xi(1) <= 1.D0) .AND. & + (Xi(2) >= -1.D0 .AND. Xi(2) <= 1.D0) + + END FUNCTION insideQuad + !Gets nodes from quadrilateral element PURE FUNCTION getNodesQuad(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell2DCylQuad), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:4)) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) END FUNCTION getNodesQuad !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logQuad(self,r) RESULT(XiN) + PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self + CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: XiN(1:3) + REAL(8):: Xi(1:3) REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) - REAL(8):: dPsi(1:2,1:4), fPsi(1:4) + REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates @@ -602,32 +583,33 @@ MODULE moduleMesh2DCyl XiO=0.D0 DO WHILE(conv>1.D-3) - CALL self%fPsi(XiO, fPsi) - f = (/ DOT_PRODUCT(fPsi,self%z)-r(1), & - DOT_PRODUCT(fPsi,self%r)-r(2) /) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) - detJ = self%detJac(XiO,dPsi) - XiN(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ - conv=MAXVAL(DABS(XiN-XiO),1) - XiO=XiN + detJ = self%detJac(XiO, dPsi) + fPsi = self%fPsi(XiO) + f = (/ DOT_PRODUCT(fPsi,self%z), & + DOT_PRODUCT(fPsi,self%r) /) + f = f - r(1:2) + Xi(1:2) = XiO(1:2) - MATMUL(invJ, f)/detJ + conv = MAXVAL(DABS(Xi-XiO),1) + XiO = Xi END DO END FUNCTION phy2logQuad - !Gets the next element for a logical position xi - SUBROUTINE nextElementQuad(self, xi, nextElement) + !Gets the next element for a logical position Xi + SUBROUTINE nextElementQuad(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + CLASS(meshCell2DCylQuad), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement - REAL(8):: xiArray(1:4) + REAL(8):: XiArray(1:4) INTEGER:: nextInt - xiArray = (/ -xi(2), xi(1), xi(2), -xi(1) /) - nextInt = MAXLOC(xiArray,1) + XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) + nextInt = MAXLOC(XiArray,1) !Selects the higher value of directions and searches in that direction NULLIFY(nextElement) SELECT CASE (nextInt) @@ -645,11 +627,11 @@ MODULE moduleMesh2DCyl !TRIA ELEMENT !Init tria element - SUBROUTINE initVolTria2DCyl(self, n, p, nodes) + SUBROUTINE initCellTria2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(out):: self + CLASS(meshCell2DCylTria), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) @@ -658,6 +640,9 @@ MODULE moduleMesh2DCyl !Assign node index self%n = n + !Assign nomber of nodes to cell + self%nNodes = SIZE(p) + !Assign nodes to element self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj @@ -679,23 +664,23 @@ MODULE moduleMesh2DCyl ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVolTria2DCyl + END SUBROUTINE initCellTria2DCyl !Random position in quadrilateral volume FUNCTION randPosVolTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self + CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8):: r(1:3) - REAL(8):: xii(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:3) - xii(1) = random( 0.D0, 1.D0) - xii(2) = random( 0.D0, 1.D0 - xii(1)) - xii(3) = 0.D0 + Xi(1) = random( 0.D0, 1.D0) + Xi(2) = random( 0.D0, 1.D0 - Xi(1)) + Xi(3) = 0.D0 - CALL self%fPsi(xii, fPsi) + fPsi = self%fPsi(Xi) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -708,17 +693,17 @@ MODULE moduleMesh2DCyl USE moduleConstParam, ONLY: PI IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(inout):: self - REAL(8):: r, xi(1:3) + CLASS(meshCell2DCylTria), INTENT(inout):: self + REAL(8):: r, Xi(1:3) REAL(8):: detJ REAL(8):: fPsi(1:3) self%volume = 0.D0 self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral - xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(xi)*PI !2PI*1/2 - CALL self%fPsi(xi, fPsi) + Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) + detJ = self%detJac(Xi)*PI !2PI*1/2 + fPsi = self%fPsi(Xi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ @@ -728,37 +713,39 @@ MODULE moduleMesh2DCyl END SUBROUTINE areaTria !Shape functions for triangular element - PURE SUBROUTINE fPsiTria(xi, fPsi) + PURE FUNCTION fPsiTria(self, Xi) RESULT(fPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: fPsi(1:self%nNodes) - fPsi(1) = 1.D0 - xi(1) - xi(2) - fPsi(2) = xi(1) - fPsi(3) = xi(2) + fPsi(1) = 1.D0 - Xi(1) - Xi(2) + fPsi(2) = Xi(1) + fPsi(3) = Xi(2) - END SUBROUTINE fPsiTria + END FUNCTION fPsiTria - !Derivative element function at coordinates xi - PURE FUNCTION dPsiTria(xi) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiTria(self, Xi) RESULT(dPsi) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: dPsi(1:3,1:self%nNodes) - ALLOCATE(dPsi(1:2,1:3)) + dPsi = 0.D0 - dPsi(1,:) = dPsiTriaXi1(xi(2)) - dPsi(2,:) = dPsiTriaXi2(xi(1)) + dPsi(1,:) = dPsiTriaXi1(Xi(2)) + dPsi(2,:) = dPsiTriaXi2(Xi(1)) END FUNCTION dPsiTria - !Derivative element function (xi1) - PURE FUNCTION dPsiTriaXi1(xi2) RESULT(dPsiXi1) + !Derivative element function (Xi1) + PURE FUNCTION dPsiTriaXi1(Xi2) RESULT(dPsiXi1) IMPLICIT NONE - REAL(8), INTENT(in):: xi2 + REAL(8), INTENT(in):: Xi2 REAL(8):: dPsiXi1(1:3) dPsiXi1(1) = -1.D0 @@ -767,11 +754,11 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiTriaXi1 - !Derivative element function (xi1) - PURE FUNCTION dPsiTriaXi2(xi1) RESULT(dPsiXi2) + !Derivative element function (Xi1) + PURE FUNCTION dPsiTriaXi2(Xi1) RESULT(dPsiXi2) IMPLICIT NONE - REAL(8), INTENT(in):: xi1 + REAL(8), INTENT(in):: Xi1 REAL(8):: dPsiXi2(1:3) dPsiXi2(1) = -1.D0 @@ -783,8 +770,8 @@ MODULE moduleMesh2DCyl PURE SUBROUTINE partialDerTria(self, dPsi, dz, dr) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr dz(1) = DOT_PRODUCT(dPsi(1,:),self%z) @@ -799,24 +786,23 @@ MODULE moduleMesh2DCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) - REAL(8):: r, xi(1:3) - REAL(8):: fPsi(1:3), dPsi(1:2,1:3) - REAL(8):: invJ(1:2,1:2), detJ + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) + REAL(8):: r, Xi(1:3) + REAL(8):: fPsi(1:3), dPsi(1:3,1:3) + REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l - ALLOCATE(localK(1:4, 1:4)) localK=0.D0 - xi=0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - CALL self%fPsi(xi, fPsi) + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) + fPsi = self%fPsi(Xi) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ @@ -830,23 +816,22 @@ MODULE moduleMesh2DCyl USE moduleConstParam, ONLY: PI2 IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:3) - REAL(8):: r, xi(1:3) + REAL(8):: r, Xi(1:3) REAL(8):: detJ, f INTEGER:: l - ALLOCATE(localF(1:3)) localF = 0.D0 - xi = 0.D0 + Xi = 0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 - xi(1) = xi1Tria(l) - xi(2) = xi2Tria(l) - detJ = self%detJac(xi) - CALL self%fPsi(xi, fPsi) + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + detJ = self%detJac(Xi) + fPsi = self%fPsi(Xi) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wTria(l)*detJ @@ -856,112 +841,99 @@ MODULE moduleMesh2DCyl END FUNCTION elemFTria - PURE FUNCTION insideTria(xi) RESULT(ins) + PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) IMPLICIT NONE - - REAL(8), INTENT(in):: xi(1:3) - LOGICAL:: ins - - ins = xi(1) >= 0.D0 .AND. & - xi(2) >= 0.D0 .AND. & - 1.D0 - xi(1) - xi(2) >= 0.D0 - - END FUNCTION insideTria - - !Gathers the electric field at position xi - PURE FUNCTION gatherEFTria(self,xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1:2,1:3) - REAL(8):: dPsiR(1:2,1:3)!Derivative of shpae functions in global coordinates - REAL(8):: invJ(1:2,1:2), detJ + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) REAL(8):: phi(1:3) - REAL(8):: EF(1:3) - phi = (/self%n1%emData%phi, & - self%n2%emData%phi, & - self%n3%emData%phi /) + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi /) - dPsi = self%dPsi(xi) - detJ = self%detJac(xi,dPsi) - invJ = self%invJac(xi,dPsi) - dPsiR = MATMUL(invJ, dPsi)/detJ - EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) - EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) - EF(3) = 0.D0 + array = -self%gatherDF(Xi, phi) END FUNCTION gatherEFTria - PURE FUNCTION gatherMFTria(self,xi) RESULT(MF) + PURE FUNCTION gatherMFTria(self, Xi) RESULT(array) IMPLICIT NONE + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:3,1:3) - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:3) - REAL(8):: MF_Nodes(1:3,1:3) - REAL(8):: MF(1:3) + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1) /) - MF_Nodes(1:3,1) = (/self%n1%emData%B(1), & - self%n2%emData%B(1), & - self%n3%emData%B(1) /) - MF_Nodes(1:3,2) = (/self%n1%emData%B(2), & - self%n2%emData%B(2), & - self%n3%emData%B(2) /) - MF_Nodes(1:3,3) = (/self%n1%emData%B(3), & - self%n2%emData%B(3), & - self%n3%emData%B(3) /) + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2) /) - CALL self%fPsi(xi, fPsi) - MF = MATMUL(fPsi, MF_Nodes) + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) END FUNCTION gatherMFTria + PURE FUNCTION insideTria(Xi) RESULT(ins) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + LOGICAL:: ins + + ins = Xi(1) >= 0.D0 .AND. & + Xi(2) >= 0.D0 .AND. & + 1.D0 - Xi(1) - Xi(2) >= 0.D0 + + END FUNCTION insideTria + !Gets node indexes from triangular element PURE FUNCTION getNodesTria(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell2DCylTria), INTENT(in):: self + INTEGER:: n(1:self%nNodes) - ALLOCATE(n(1:3)) n = (/self%n1%n, self%n2%n, self%n3%n /) END FUNCTION getNodesTria !Transforms physical coordinates to element coordinates - PURE FUNCTION phy2logTria(self,r) RESULT(xi) + PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self + CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: invJ(1:2,1:2), detJ REAL(8):: deltaR(1:2) - REAL(8):: dPsi(1:2,1:3) + REAL(8):: dPsi(1:3,1:3) !Direct method to convert coordinates - xi = 0.D0 !Irrelevant, required for input + Xi = 0.D0 !Irrelevant, required for input deltaR = (/ r(1) - self%z(1), r(2) - self%r(1) /) - dPsi = self%dPsi(xi) - invJ = self%invJac(xi, dPsi) - detJ = self%detJac(xi, dPsi) - xi(1:2) = MATMUL(invJ,deltaR)/detJ + dPsi = self%dPsi(Xi) + invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, dPsi) + Xi(1:2) = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria - SUBROUTINE nextElementTria(self, xi, nextElement) + SUBROUTINE nextElementTria(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + CLASS(meshCell2DCylTria), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement - REAL(8):: xiArray(1:3) + REAL(8):: XiArray(1:3) INTEGER:: nextInt - xiArray = (/ xi(2), 1.D0-xi(1)-xi(2), xi(1) /) - nextInt = MINLOC(xiArray,1) + XiArray = (/ Xi(2), 1.D0-Xi(1)-Xi(2), Xi(1) /) + nextInt = MINLOC(XiArray,1) NULLIFY(nextElement) SELECT CASE (nextInt) CASE (1) @@ -976,21 +948,21 @@ MODULE moduleMesh2DCyl !COMMON FUNCTIONS FOR CYLINDRICAL VOLUME ELEMENTS !Computes element Jacobian determinant - PURE FUNCTION detJ2DCyl(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCyl(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + CLASS(meshCell2DCyl), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) REAL(8):: dJ + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dz(1:2), dr(1:2) IF(PRESENT(dPsi_in)) THEN dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF @@ -1000,27 +972,30 @@ MODULE moduleMesh2DCyl END FUNCTION detJ2DCyl !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCyl(self,xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCyl(self,Xi,dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVol2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + CLASS(meshCell2DCyl), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: invJ(1:3,1:3) + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dz(1:2), dr(1:2) - REAL(8):: invJ(1:2,1:2) IF(PRESENT(dPsi_in)) THEN dPsi=dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi) END IF + invJ = 0.D0 + CALL self%partialDer(dPsi, dz, dr) - invJ(1,:) = (/ dr(2), -dz(2) /) - invJ(2,:) = (/ -dr(1), dz(1) /) + + invJ(1,1:2) = (/ dr(2), -dz(2) /) + invJ(2,1:2) = (/ -dr(1), dz(1) /) END FUNCTION invJ2DCyl @@ -1030,11 +1005,11 @@ MODULE moduleMesh2DCyl CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et - DO e = 1, self%numVols + DO e = 1, self%numCells !Connect Vol-Vol - DO et = 1, self%numVols + DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -1044,7 +1019,7 @@ MODULE moduleMesh2DCyl TYPE IS(meshParticles) !Connect Vol-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -1058,31 +1033,31 @@ MODULE moduleMesh2DCyl SUBROUTINE connectVolVol(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB + CLASS(meshCell), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVol2DCylQuad) + TYPE IS(meshCell2DCylQuad) !Element A is a quadrilateral SELECT TYPE(elemB) - TYPE IS(meshVol2DCylQuad) + TYPE IS(meshCell2DCylQuad) !Element B is a quadrilateral CALL connectQuadQuad(elemA, elemB) - TYPE IS(meshVol2DCylTria) + TYPE IS(meshCell2DCylTria) !Element B is a triangle CALL connectQuadTria(elemA, elemB) END SELECT - TYPE IS(meshVol2DCylTria) + TYPE IS(meshCell2DCylTria) !Element A is a Triangle SELECT TYPE(elemB) - TYPE IS(meshVol2DCylQuad) + TYPE IS(meshCell2DCylQuad) !Element B is a quadrilateral CALL connectQuadTria(elemB, elemA) - TYPE IS(meshVol2DCylTria) + TYPE IS(meshCell2DCylTria) !Element B is a triangle CALL connectTriaTria(elemA, elemB) @@ -1095,17 +1070,17 @@ MODULE moduleMesh2DCyl SUBROUTINE connectVolEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemA CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemB) CLASS IS(meshEdge2DCyl) SELECT TYPE(elemA) - TYPE IS(meshVol2DCylQuad) + TYPE IS(meshCell2DCylQuad) !Element A is a quadrilateral CALL connectQuadEdge(elemA, elemB) - TYPE IS(meshVol2DCylTria) + TYPE IS(meshCell2DCylTria) !Element A is a triangle CALL connectTriaEdge(elemA, elemB) @@ -1118,8 +1093,8 @@ MODULE moduleMesh2DCyl SUBROUTINE connectQuadQuad(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCylQuad), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1) .AND. & @@ -1162,8 +1137,8 @@ MODULE moduleMesh2DCyl SUBROUTINE connectQuadTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCylTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -1254,8 +1229,8 @@ MODULE moduleMesh2DCyl SUBROUTINE connectTriaTria(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemB + CLASS(meshCell2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCylTria), INTENT(inout), TARGET:: elemB !Check direction 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -1327,7 +1302,7 @@ MODULE moduleMesh2DCyl SUBROUTINE connectQuadEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCylQuad), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCylQuad), INTENT(inout), TARGET:: elemA CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB !Check direction 1 @@ -1411,7 +1386,7 @@ MODULE moduleMesh2DCyl SUBROUTINE connectTriaEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol2DCylTria), INTENT(inout), TARGET:: elemA + CLASS(meshCell2DCylTria), INTENT(inout), TARGET:: elemA CLASS(meshEdge2DCyl), INTENT(inout), TARGET:: elemB !Check direction 1 diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 4b29c16..9bd6468 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -31,26 +31,19 @@ MODULE moduleMesh3DCart END TYPE meshEdge3DCartTria - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshVol):: meshVol3DCart + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell3DCart CONTAINS PROCEDURE, PASS:: detJac => detJ3DCart PROCEDURE, PASS:: invJac => invJ3DCart - PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - END TYPE meshVol3DCart + END TYPE meshCell3DCart ABSTRACT INTERFACE - PURE FUNCTION dPsi_interface(Xi) RESULT(dPsi) - REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) - - END FUNCTION dPsi_interface - PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy, dz) - IMPORT meshVol3DCart - CLASS(meshVol3DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:,1:) + IMPORT meshCell3DCart + CLASS(meshCell3DCart), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz END SUBROUTINE partialDer_interface @@ -58,7 +51,7 @@ MODULE moduleMesh3DCart END INTERFACE !Tetrahedron volume element - TYPE, PUBLIC, EXTENDS(meshVol3DCart):: meshVol3DCartTetra + TYPE, PUBLIC, EXTENDS(meshCell3DCart):: meshCell3DCartTetra !Element Coordinates REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0, z(1:4) = 0.D0 !Connectivity to nodes @@ -66,24 +59,24 @@ MODULE moduleMesh3DCart !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() CONTAINS - PROCEDURE, PASS:: init => initVolTetra3DCart - PROCEDURE, PASS:: randPos => randPosVolTetra - PROCEDURE, PASS:: calcVol => volumeTetra - PROCEDURE, NOPASS:: fPsi => fPsiTetra - PROCEDURE, NOPASS:: dPsi => dPsiTetra - PROCEDURE, NOPASS:: dPsiXi1 => dPsiTetraXi1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiTetraXi2 + PROCEDURE, PASS:: init => initCellTetra3DCart + PROCEDURE, PASS:: randPos => randPosCellTetra + PROCEDURE, PASS:: calcCell => volumeTetra + PROCEDURE, PASS:: fPsi => fPsiTetra + PROCEDURE, PASS:: dPsi => dPsiTetra + PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiTetraXi1 + PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiTetraXi2 PROCEDURE, PASS:: partialDer => partialDerTetra PROCEDURE, PASS:: elemK => elemKTetra PROCEDURE, PASS:: elemF => elemFTetra + PROCEDURE, PASS:: gatherElectricField => gatherEFTetra + PROCEDURE, PASS:: gatherMagneticField => gatherMFTetra PROCEDURE, NOPASS:: inside => insideTetra - PROCEDURE, PASS:: gatherEF => gatherEFTetra - PROCEDURE, PASS:: gatherMF => gatherMFTetra PROCEDURE, PASS:: getNodes => getNodesTetra PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: nextElement => nextElementTetra - END TYPE meshVol3DCartTetra + END TYPE meshCell3DCartTetra CONTAINS !NODE FUNCTIONS @@ -245,19 +238,20 @@ MODULE moduleMesh3DCart !VOLUME FUNCTIONS !TETRA FUNCTIONS !Inits tetrahedron element - SUBROUTINE initVolTetra3DCart(self, n, p, nodes) + SUBROUTINE initCellTetra3DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(out):: self + CLASS(meshCell3DCartTetra), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 !Positions of each node REAL(8):: Xi(1:3), fPsi(1:4) - REAL(8):: volNodes(1:4) !Volume of each node + REAL(8):: volNodes(1:4) !Cellume of each node self%n = n + self%nNodes = SIZE(p) self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -272,11 +266,11 @@ MODULE moduleMesh3DCart self%z = (/r1(3), r2(3), r3(3), r4(3)/) !Computes the element volume - CALL self%calcVol() + CALL self%calcCell() !Assign proportional volume to each node Xi = (/0.25D0, 0.25D0, 0.25D0/) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) volNodes = fPsi*self%volume self%n1%v = self%n1%v + volNodes(1) self%n2%v = self%n2%v + volNodes(2) @@ -288,14 +282,14 @@ MODULE moduleMesh3DCart ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initVolTetra3DCart + END SUBROUTINE initCellTetra3DCart !Random position in volume tetrahedron - FUNCTION randPosVolTetra(self) RESULT(r) + FUNCTION randPosCellTetra(self) RESULT(r) USE moduleRandom IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self + CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) @@ -304,19 +298,19 @@ MODULE moduleMesh3DCart Xi(2) = random( 0.D0, 1.D0 - Xi(1)) Xi(3) = random( 0.D0, 1.D0 - Xi(1) - Xi(2)) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) r = (/ DOT_PRODUCT(fPsi, self%x), & DOT_PRODUCT(fPsi, self%y), & DOT_PRODUCT(fPsi, self%z) /) - END FUNCTION randPosVolTetra + END FUNCTION randPosCellTetra !Computes the element volume PURE SUBROUTINE volumeTetra(self) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(inout):: self + CLASS(meshCell3DCartTetra), INTENT(inout):: self REAL(8):: Xi(1:3) self%volume = 0.D0 @@ -326,27 +320,29 @@ MODULE moduleMesh3DCart END SUBROUTINE volumeTetra !Computes element functions in point Xi - PURE SUBROUTINE fPsiTetra(Xi, fPsi) + PURE FUNCTION fPsiTetra(self, Xi) RESULT(fPsi) IMPLICIT NONE + CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + REAL(8):: fPsi(1:self%nNodes) fPsi(1) = 1.D0 - Xi(1) - Xi(2) - Xi(3) fPsi(2) = Xi(1) fPsi(3) = Xi(2) fPsi(4) = Xi(3) - END SUBROUTINE fPsiTetra + END FUNCTION fPsiTetra !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTetra(Xi) RESULT(dPsi) + PURE FUNCTION dPsiTetra(self, Xi) RESULT(dPsi) IMPLICIT NONE + CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3, 1:self%nNodes) - ALLOCATE(dPsi(1:3,1:4)) + dPsi = 0.D0 dPsi(1,:) = dPsiTetraXi1(Xi(2), Xi(3)) dPsi(2,:) = dPsiTetraXi2(Xi(1), Xi(3)) @@ -397,8 +393,8 @@ MODULE moduleMesh3DCart PURE SUBROUTINE partialDerTetra(self, dPsi, dx, dy, dz) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:, 1:) + CLASS(meshCell3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: dPsi(1:3, 1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) @@ -418,13 +414,12 @@ MODULE moduleMesh3DCart PURE FUNCTION elemKTetra(self) RESULT(localK) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + CLASS(meshCell3DCartTetra), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) REAL(8):: invJ(1:3,1:3), detJ - ALLOCATE(localK(1:4,1:4)) localK = 0.D0 Xi = 0.D0 !TODO: One point Gauss integral. Upgrade when possible @@ -432,7 +427,7 @@ MODULE moduleMesh3DCart dPsi = self%dPsi(Xi) detJ = self%detJac(Xi, dPsi) invJ = self%invJac(Xi, dPsi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ END FUNCTION elemKTetra @@ -440,26 +435,66 @@ MODULE moduleMesh3DCart PURE FUNCTION elemFTetra(self, source) RESULT(localF) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + CLASS(meshCell3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) REAL(8):: Xi(1:3) REAL(8):: detJ, f - ALLOCATE(localF(1:4)) - localF = 0.D0 Xi = 0.D0 Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) dPsi = self%dPsi(Xi) detJ = self%detJac(Xi, dPsi) - CALL self%fPsi(Xi, fPsi) + fPsi = self%fPsi(Xi) f = DOT_PRODUCT(fPsi, source) localF = f*fPsi*1.D0*detJ END FUNCTION elemFTetra + PURE FUNCTION gatherEFTetra(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: phi(1:4) + + phi = (/ self%n1%emData%phi, & + self%n2%emData%phi, & + self%n3%emData%phi, & + self%n4%emData%phi /) + + array = -self%gatherDF(Xi, phi) + + END FUNCTION gatherEFTetra + + PURE FUNCTION gatherMFTetra(self, Xi) RESULT(array) + IMPLICIT NONE + CLASS(meshCell3DCartTetra), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + REAL(8):: B(1:4,1:3) + + B(:,1) = (/ self%n1%emData%B(1), & + self%n2%emData%B(1), & + self%n3%emData%B(1), & + self%n4%emData%B(1) /) + + B(:,2) = (/ self%n1%emData%B(2), & + self%n2%emData%B(2), & + self%n3%emData%B(2), & + self%n4%emData%B(2) /) + + B(:,3) = (/ self%n1%emData%B(3), & + self%n2%emData%B(3), & + self%n3%emData%B(3), & + self%n4%emData%B(3) /) + + array = self%gatherF(Xi, 3, B) + + END FUNCTION gatherMFTetra + PURE FUNCTION insideTetra(Xi) RESULT(ins) IMPLICIT NONE @@ -473,66 +508,12 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra - PURE FUNCTION gatherEFTetra(self, Xi) RESULT(EF) - IMPLICIT NONE - - CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:4) - REAL(8):: dPsiR(1:3, 1:4) - REAL(8):: invJ(1:3, 1:3), detJ - REAL(8):: phi(1:4) - REAL(8):: EF(1:3) - - phi = (/self%n1%emData%phi, & - self%n2%emData%phi, & - self%n3%emData%phi, & - self%n4%emData%phi /) - - dPsi = self%dPsi(Xi) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) - dPsiR = MATMUL(invJ, dPsi)/detJ - EF(1) = -DOT_PRODUCT(dPsiR(1,:), phi) - EF(2) = -DOT_PRODUCT(dPsiR(2,:), phi) - EF(3) = -DOT_PRODUCT(dPsiR(3,:), phi) - - END FUNCTION gatherEFTetra - - PURE FUNCTION gatherMFTetra(self, Xi) RESULT(MF) - IMPLICIT NONE - - CLASS(meshVol3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:4) - REAL(8):: MF_Nodes(1:4,1:3) - REAL(8):: MF(1:3) - - MF_Nodes(1:4,1) = (/self%n1%emData%B(1), & - self%n2%emData%B(1), & - self%n3%emData%B(1), & - self%n4%emData%B(1) /) - MF_Nodes(1:4,2) = (/self%n1%emData%B(2), & - self%n2%emData%B(2), & - self%n3%emData%B(2), & - self%n4%emData%B(2) /) - MF_Nodes(1:4,3) = (/self%n1%emData%B(3), & - self%n2%emData%B(3), & - self%n3%emData%B(3), & - self%n4%emData%B(3) /) - - CALL self%fPsi(Xi, fPsi) - MF = MATMUL(fPsi, MF_Nodes) - - END FUNCTION gatherMFTetra - PURE FUNCTION getNodesTetra(self) RESULT(n) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + CLASS(meshCell3DCartTetra), INTENT(in):: self + INTEGER:: n(1:self%nnodes) - ALLOCATE(n(1:4)) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) END FUNCTION getNodesTetra @@ -540,7 +521,7 @@ MODULE moduleMesh3DCart PURE FUNCTION phy2logTetra(self,r) RESULT(Xi) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self + CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) REAL(8):: invJ(1:3, 1:3), detJ @@ -559,7 +540,7 @@ MODULE moduleMesh3DCart SUBROUTINE nextElementTetra(self, Xi, nextElement) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(in):: self + CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement REAL(8):: XiArray(1:4) @@ -587,11 +568,11 @@ MODULE moduleMesh3DCart PURE FUNCTION detJ3DCart(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE - CLASS(meshVol3DCart), INTENT(in)::self + CLASS(meshCell3DCart), INTENT(in)::self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:, 1:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:self%nNodes) REAL(8):: dJ - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8):: dPsi(1:3, 1:self%nNodes) REAL(8):: dx(1:3), dy(1:3), dz(1:3) IF (PRESENT(dPsi_in)) THEN @@ -612,10 +593,10 @@ MODULE moduleMesh3DCart PURE FUNCTION invJ3DCart(self,Xi,dPsi_in) RESULT(invJ) IMPLICIT NONE - CLASS(meshVol3DCart), INTENT(in):: self + CLASS(meshCell3DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:,1:) - REAL(8), ALLOCATABLE:: dPsi(:,:) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:self%nNodes) + REAL(8):: dPsi(1:3, 1:self%nNodes) REAL(8), DIMENSION(1:3):: dx, dy, dz REAL(8):: invJ(1:3,1:3) @@ -645,17 +626,17 @@ MODULE moduleMesh3DCart END FUNCTION invJ3DCart !Selects type of elements to build connection - SUBROUTINE connectVolVol(elemA, elemB) + SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA - CLASS(meshVol), INTENT(inout):: elemB + CLASS(meshCell), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemB SELECT TYPE(elemA) - TYPE IS(meshVol3DCartTetra) + TYPE IS(meshCell3DCartTetra) !Element A is a tetrahedron SELECT TYPE(elemB) - TYPE IS(meshVol3DCartTetra) + TYPE IS(meshCell3DCartTetra) !Element B is a tetrahedron CALL connectTetraTetra(elemA, elemB) @@ -663,18 +644,18 @@ MODULE moduleMesh3DCart END SELECT - END SUBROUTINE connectVolVol + END SUBROUTINE connectCellCell - SUBROUTINE connectVolEdge(elemA, elemB) + SUBROUTINE connectCellEdge(elemA, elemB) IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: elemA + CLASS(meshCell), INTENT(inout):: elemA CLASS(meshEdge), INTENT(inout):: elemB SELECT TYPE(elemB) CLASS IS(meshEdge3DCartTria) SELECT TYPE(elemA) - TYPE IS(meshVol3DCartTetra) + TYPE IS(meshCell3DCartTetra) !Element A is a tetrahedron CALL connectTetraEdge(elemA, elemB) @@ -682,7 +663,7 @@ MODULE moduleMesh3DCart END SELECT - END SUBROUTINE connectVolEdge + END SUBROUTINE connectCellEdge SUBROUTINE connectMesh3DCart(self) IMPLICIT NONE @@ -690,11 +671,11 @@ MODULE moduleMesh3DCart CLASS(meshGeneric), INTENT(inout):: self INTEGER:: e, et - DO e = 1, self%numVols - !Connect Vol-Vol - DO et = 1, self%numVols + DO e = 1, self%numCells + !Connect Cell-Cell + DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%vols(e)%obj, self%vols(et)%obj) + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -702,9 +683,9 @@ MODULE moduleMesh3DCart SELECT TYPE(self) TYPE IS(meshParticles) - !Connect Vol-Edge + !Connect Cell-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%vols(e)%obj, self%edges(et)%obj) + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -740,8 +721,8 @@ MODULE moduleMesh3DCart SUBROUTINE connectTetraTetra(elemA, elemB) IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemB + CLASS(meshCell3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshCell3DCartTetra), INTENT(inout), TARGET:: elemB !Check surface 1 IF (.NOT. ASSOCIATED(elemA%e1)) THEN @@ -869,11 +850,11 @@ MODULE moduleMesh3DCart USE moduleMath IMPLICIT NONE - CLASS(meshVol3DCartTetra), INTENT(inout), TARGET:: elemA + CLASS(meshCell3DCartTetra), INTENT(inout), TARGET:: elemA CLASS(meshEdge3DCartTria), INTENT(inout), TARGET:: elemB INTEGER:: nodesEdge(1:3) REAL(8), DIMENSION(1:3):: vec1, vec2 - REAL(8):: normVol(1:3) + REAL(8):: normCell(1:3) nodesEdge = (/ elemB%n1%n, elemB%n2%n, elemB%n3%n /) @@ -888,10 +869,10 @@ MODULE moduleMesh3DCart vec2 = (/ elemA%x(3) - elemA%x(1), & elemA%y(3) - elemA%y(1), & elemA%z(3) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) + normCell = crossProduct(vec1, vec2) + normCell = normalize(normCell) - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + IF (DOT_PRODUCT(elemB%normal, normCell) == -1.D0) THEN elemA%e1 => elemB elemB%e1 => elemA @@ -921,10 +902,10 @@ MODULE moduleMesh3DCart vec2 = (/ elemA%x(4) - elemA%x(2), & elemA%y(4) - elemA%y(2), & elemA%z(4) - elemA%z(2) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) + normCell = crossProduct(vec1, vec2) + normCell = normalize(normCell) - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + IF (DOT_PRODUCT(elemB%normal, normCell) == -1.D0) THEN elemA%e2 => elemB elemB%e1 => elemA @@ -954,10 +935,10 @@ MODULE moduleMesh3DCart vec2 = (/ elemA%x(4) - elemA%x(1), & elemA%y(4) - elemA%y(1), & elemA%z(4) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) + normCell = crossProduct(vec1, vec2) + normCell = normalize(normCell) - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + IF (DOT_PRODUCT(elemB%normal, normCell) == -1.D0) THEN elemA%e3 => elemB elemB%e1 => elemA @@ -987,10 +968,10 @@ MODULE moduleMesh3DCart vec2 = (/ elemA%x(4) - elemA%x(1), & elemA%y(4) - elemA%y(1), & elemA%z(4) - elemA%z(1) /) - normVol = crossProduct(vec1, vec2) - normVol = normalize(normVol) + normCell = crossProduct(vec1, vec2) + normCell = normalize(normCell) - IF (DOT_PRODUCT(elemB%normal, normVol) == -1.D0) THEN + IF (DOT_PRODUCT(elemB%normal, normCell) == -1.D0) THEN elemA%e4 => elemB elemB%e1 => elemA diff --git a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 index 5ac0682..37dbf82 100644 --- a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 @@ -41,8 +41,8 @@ MODULE moduleMeshInput0D self%numNodes = 1 ALLOCATE(self%nodes(1:1)) !Allocates one volume - self%numVols = 1 - ALLOCATE(self%vols(1:1)) + self%numCells = 1 + ALLOCATE(self%cells(1:1)) !Allocates matrix K SELECT TYPE(self) TYPE IS(meshParticles) @@ -59,8 +59,8 @@ MODULE moduleMeshInput0D CALL self%nodes(1)%obj%init(1, r) !Creates the volume - ALLOCATE(meshVol0D:: self%vols(1)%obj) - CALL self%vols(1)%obj%init(1, (/ 1/), self%nodes) + ALLOCATE(meshCell0D:: self%cells(1)%obj) + CALL self%cells(1)%obj%init(1, (/ 1/), self%nodes) END SUBROUTINE read0D diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 15045b1..dfe9605 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -57,7 +57,7 @@ MODULE moduleMeshOutput0D END IF OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE(20, "(ES20.6E3, 10I20)") REAL(t)*tauMin*ti_ref, (self%vols(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) + WRITE(20, "(ES20.6E3, 10I20)") REAL(t)*tauMin*ti_ref, (self%cells(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) CLOSE(20) END SUBROUTINE printColl0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 7832843..aae2216 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -136,7 +136,7 @@ MODULE moduleMeshInputGmsh2 !Substract the number of edges to the total number of elements !to obtain the number of volume elements - self%numVols = TotalnumElem - self%numEdges + self%numCells = TotalnumElem - self%numEdges ALLOCATE(self%edges(1:self%numEdges)) numEdges = self%numEdges @@ -146,13 +146,13 @@ MODULE moduleMeshInputGmsh2 END DO TYPE IS(meshCollisions) - self%numVols = TotalnumElem + self%numCells = TotalnumElem numEdges = 0 END SELECT !Allocates arrays - ALLOCATE(self%vols(1:self%numVols)) + ALLOCATE(self%cells(1:self%numCells)) SELECT TYPE(self) TYPE IS(meshParticles) @@ -232,7 +232,7 @@ MODULE moduleMeshInputGmsh2 END SELECT !Read and initialize volumes - DO e = 1, self%numVols + DO e = 1, self%numCells !Reads the volume according to the geometry SELECT CASE(self%dimen) CASE(3) @@ -244,7 +244,7 @@ MODULE moduleMeshInputGmsh2 !Tetrahedron element ALLOCATE(p(1:4)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol3DCartTetra:: self%vols(e)%obj) + ALLOCATE(meshCell3DCartTetra:: self%cells(e)%obj) END SELECT @@ -259,13 +259,13 @@ MODULE moduleMeshInputGmsh2 !Triangular element ALLOCATE(p(1:3)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCylTria:: self%vols(e)%obj) + ALLOCATE(meshCell2DCylTria:: self%cells(e)%obj) CASE (3) !Quadrilateral element ALLOCATE(p(1:4)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCylQuad:: self%vols(e)%obj) + ALLOCATE(meshCell2DCylQuad:: self%cells(e)%obj) END SELECT @@ -278,13 +278,13 @@ MODULE moduleMeshInputGmsh2 !Triangular element ALLOCATE(p(1:3)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:3) - ALLOCATE(meshVol2DCartTria:: self%vols(e)%obj) + ALLOCATE(meshCell2DCartTria:: self%cells(e)%obj) CASE (3) !Quadrilateral element ALLOCATE(p(1:4)) READ(10,*) n, elemType, eTemp, eTemp, eTemp, p(1:4) - ALLOCATE(meshVol2DCartQuad:: self%vols(e)%obj) + ALLOCATE(meshCell2DCartQuad:: self%cells(e)%obj) END SELECT @@ -296,19 +296,19 @@ MODULE moduleMeshInputGmsh2 ALLOCATE(p(1:2)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DRadSegm:: self%vols(e)%obj) + ALLOCATE(meshCell1DRadSegm:: self%cells(e)%obj) CASE("Cart") ALLOCATE(p(1:2)) READ(10, *) n, elemType, eTemp, eTemp, eTemp, p(1:2) - ALLOCATE(meshVol1DCartSegm:: self%vols(e)%obj) + ALLOCATE(meshCell1DCartSegm:: self%cells(e)%obj) END SELECT END SELECT - CALL self%vols(e)%obj%init(n - numEdges, p, self%nodes) + CALL self%cells(e)%obj%init(n - numEdges, p, self%nodes) DEALLOCATE(p) END DO diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 7eade3e..53485f4 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -181,9 +181,9 @@ MODULE moduleMeshOutputGmsh2 DO c = 1, interactionMatrix(k)%amount WRITE(cString, "(I2)") c title = '"Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString - CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numVols) - DO n=1, self%numVols - WRITE(60, "(I6,I10)") n + numEdges, self%vols(n)%obj%tallyColl(k)%tally(c) + CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numCells) + DO n=1, self%numCells + WRITE(60, "(I6,I10)") n + numEdges, self%cells(n)%obj%tallyColl(k)%tally(c) END DO CALL writeGmsh2FooterElementData(60) @@ -211,9 +211,9 @@ MODULE moduleMeshOutputGmsh2 REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName CHARACTER (LEN=iterationDigits):: tstring - REAL(8):: xi(1:3) + REAL(8):: Xi(1:3) - xi = (/ 0.D0, 0.D0, 0.D0 /) + Xi = (/ 0.D0, 0.D0, 0.D0 /) IF (emOutput) THEN time = DBLE(t)*tauMin*ti_ref @@ -231,9 +231,9 @@ MODULE moduleMeshOutputGmsh2 END DO CALL writeGmsh2FooterNodeData(20) - CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', t, time, 3, self%numVols) - DO e=1, self%numVols - WRITE(20, *) e+self%numEdges, self%vols(e)%obj%gatherEF(xi)*EF_ref + CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', t, time, 3, self%numCells) + DO e=1, self%numCells + WRITE(20, *) e+self%numEdges, self%cells(e)%obj%gatherElectricField(Xi)*EF_ref END DO CALL writeGmsh2FooterElementData(20) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 11e8bc7..d0a03f4 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -66,10 +66,10 @@ MODULE moduleMesh !Parent of Edge element TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshEdge - !Connectivity to vols - CLASS(meshVol), POINTER:: e1 => NULL(), e2 => NULL() - !Connectivity to vols in meshColl - CLASS(meshVol), POINTER:: eColl => NULL() + !Connectivity to cells + CLASS(meshCell), POINTER:: e1 => NULL(), e2 => NULL() + !Connectivity to cells in meshColl + CLASS(meshCell), POINTER:: eColl => NULL() !Normal vector REAL(8):: normal(1:3) !Weight for random injection of particles @@ -146,8 +146,10 @@ MODULE moduleMesh END TYPE meshEdgeCont - !Parent of Volume element - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshVol + !Parent of cell element + TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshCell + !Number of nodes in the cell + INTEGER:: nNodes !Maximum collision rate REAL(8), ALLOCATABLE:: sigmaVrelMax(:) !Arrays for counting number of collisions @@ -161,114 +163,152 @@ MODULE moduleMesh !Total weight of particles inside cell REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS - PROCEDURE(initVol_interface), DEFERRED, PASS:: init - PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes - PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos - PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi - PROCEDURE, PASS:: scatter - PROCEDURE(gatherEF_interface), DEFERRED, PASS:: gatherEF - PROCEDURE(gatherMF_interface), DEFERRED, PASS:: gatherMF - PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK - PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF + !Init the cell + PROCEDURE(initCell_interface), DEFERRED, PASS:: init + !Get the index of the nodes + PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes + !Calculate random position on the cell + PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos + !Obtain functions and values of cell natural functions + PROCEDURE(fPsi_interface), DEFERRED, PASS:: fPsi + PROCEDURE(dPsi_interface), DEFERRED, PASS:: dPsi + PROCEDURE(detJac_interface), DEFERRED, PASS:: detJac + PROCEDURE(invJac_interface), DEFERRED, PASS:: invJac + !Scatter properties of particles on cell nodes + PROCEDURE, PASS:: scatter + !Gather value and spatial derivative on the nodes at position Xi + PROCEDURE, PASS, PRIVATE:: gatherF_scalar + PROCEDURE, PASS, PRIVATE:: gatherF_array + PROCEDURE, PASS, PRIVATE:: gatherDF_scalar + GENERIC:: gatherF => gatherF_scalar, gatherF_array + GENERIC:: gatherDF => gatherDF_scalar + !Procedures to get specific values in the node + PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherElectricField + PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherMagneticField + !Compute K and F to solve PDE on the mesh + PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK + PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF + !Subroutines to find in which cell a particle is located PROCEDURE, PASS:: findCell - PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log PROCEDURE(inside_interface), DEFERRED, NOPASS:: inside PROCEDURE(nextElement_interface), DEFERRED, PASS:: nextElement + !Convert physical coordinates (r) into logical coordinates (Xi) + PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log - END TYPE meshVol + END TYPE meshCell ABSTRACT INTERFACE - SUBROUTINE initVol_interface(self, n, p, nodes) - IMPORT:: meshVol + SUBROUTINE initCell_interface(self, n, p, nodes) + IMPORT:: meshCell IMPORT meshNodeCont - CLASS(meshVol), INTENT(out):: self + CLASS(meshCell), INTENT(out):: self INTEGER, INTENT(in):: n INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) - END SUBROUTINE initVol_interface - - PURE FUNCTION gatherEF_interface(self, xi) RESULT(EF) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: EF(1:3) - - END FUNCTION gatherEF_interface - - PURE FUNCTION gatherMF_interface(self, xi) RESULT(MF) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: MF(1:3) - - END FUNCTION gatherMF_interface + END SUBROUTINE initCell_interface PURE FUNCTION getNodesVol_interface(self) RESULT(n) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + INTEGER:: n(1:self%nNodes) END FUNCTION getNodesVol_interface - PURE SUBROUTINE fPsi_interface(xi, fPsi) - REAL(8), INTENT(in):: xi(1:3) - REAL(8), INTENT(out):: fPsi(:) + PURE FUNCTION fPsi_interface(self, Xi) RESULT(fPsi) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: fPsi(1:self%nNodes) - END SUBROUTINE fPsi_interface + END FUNCTION fPsi_interface + + PURE FUNCTION dPsi_interface(self, Xi) RESULT(dPsi) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:self%nNodes) + + END FUNCTION dPsi_interface + + PURE FUNCTION detJac_interface(self, Xi, dPsi_in) RESULT(dJ) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: dJ + + END FUNCTION detJac_interface + + PURE FUNCTION invJac_interface(self, Xi, dPsi_in) RESULT(invJ) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: invJ(1:3,1:3) + + END FUNCTION invJac_interface + + PURE FUNCTION gatherArray_interface(self, Xi) RESULT(array) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8):: array(1:3) + + END FUNCTION gatherArray_interface PURE FUNCTION elemK_interface(self) RESULT(localK) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - REAL(8), ALLOCATABLE:: localK(:,:) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8):: localK(1:self%nNodes,1:self%nNodes) END FUNCTION elemK_interface PURE FUNCTION elemF_interface(self, source) RESULT(localF) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self - REAL(8), INTENT(in):: source(1:) - REAL(8), ALLOCATABLE:: localF(:) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: source(1:self%nNodes) + REAL(8):: localF(1:self%nNodes) END FUNCTION elemF_interface - SUBROUTINE nextElement_interface(self, xi, nextElement) - IMPORT:: meshVol, meshElement - CLASS(meshVol), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + SUBROUTINE nextElement_interface(self, Xi, nextElement) + IMPORT:: meshCell, meshElement + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement END SUBROUTINE nextElement_interface - PURE FUNCTION phy2log_interface(self,r) RESULT(xN) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self + PURE FUNCTION phy2log_interface(self,r) RESULT(Xi) + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xN(1:3) + REAL(8):: Xi(1:3) END FUNCTION phy2log_interface - PURE FUNCTION inside_interface(xi) RESULT(ins) - IMPORT:: meshVol - REAL(8), INTENT(in):: xi(1:3) + PURE FUNCTION inside_interface(Xi) RESULT(ins) + IMPORT:: meshCell + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins END FUNCTION inside_interface FUNCTION randPosVol_interface(self) RESULT(r) - IMPORT:: meshVol - CLASS(meshVol), INTENT(in):: self + IMPORT:: meshCell + CLASS(meshCell), INTENT(in):: self REAL(8):: r(1:3) END FUNCTION randPosVol_interface END INTERFACE - !Containers for volumes in the mesh - TYPE:: meshVolCont - CLASS(meshVol), ALLOCATABLE:: obj + !Containers for cells in the mesh + TYPE:: meshCellCont + CLASS(meshCell), ALLOCATABLE:: obj - END TYPE meshVolCont + END TYPE meshCellCont !Generic mesh type TYPE, ABSTRACT:: meshGeneric @@ -277,11 +317,11 @@ MODULE moduleMesh !Geometry of the mesh CHARACTER(:), ALLOCATABLE:: geometry !Number of elements - INTEGER:: numNodes, numVols + INTEGER:: numNodes, numCells !Array of nodes TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) - !Array of volume elements - TYPE(meshVolCont), ALLOCATABLE:: vols(:) + !Array of cell elements + TYPE(meshCellCont), ALLOCATABLE:: cells(:) PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() PROCEDURE(readInitial_interface), POINTER, NOPASS:: readInitial => NULL() PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() @@ -310,7 +350,7 @@ MODULE moduleMesh END SUBROUTINE readInitial_interface - !Connects volume and edges to the mesh + !Connects cell and edges to the mesh SUBROUTINE connectMesh_interface(self) IMPORT meshGeneric @@ -318,7 +358,7 @@ MODULE moduleMesh END SUBROUTINE connectMesh_interface - !Prints number of collisions in each volume + !Prints number of collisions in each cell SUBROUTINE printColl_interface(self, t) IMPORT meshGeneric @@ -416,7 +456,7 @@ MODULE moduleMesh !Pointer to mesh used for MC collisions CLASS(meshGeneric), POINTER:: meshForMCC => NULL() - !Procedure to find a volume for a particle in meshColl + !Procedure to find a cell for a particle in meshColl PROCEDURE(findCellColl_interface), POINTER:: findCellColl => NULL() ABSTRACT INTERFACE @@ -445,9 +485,9 @@ MODULE moduleMesh REAL(8), ALLOCATABLE:: localK(:,:) INTEGER:: nNodes, i, j - DO e = 1, self%numVols - n = self%vols(e)%obj%getNodes() - localK = self%vols(e)%obj%elemK() + DO e = 1, self%numCells + n = self%cells(e)%obj%getNodes() + localK = self%cells(e)%obj%elemK() nNodes = SIZE(n) DO i = 1, nNodes @@ -480,33 +520,84 @@ MODULE moduleMesh END SUBROUTINE resetOutput - !Scatters particle properties into vol nodes + !Gather the value of valNodes (scalar) at position Xi + PURE FUNCTION gatherF_scalar(self, Xi, valNodes) RESULT(f) + IMPLICIT NONE + + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in):: valNodes(1:self%nNodes) + REAL(8):: f + REAL(8):: fPsi(1:self%nNodes) + + fPsi = self%fPsi(Xi) + f = DOT_PRODUCT(fPsi, valNodes) + + END FUNCTION gatherF_scalar + + !Gather the value of valNodes (array) at position Xi + PURE FUNCTION gatherF_array(self, Xi, n, valNodes) RESULT(f) + IMPLICIT NONE + + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: n + REAL(8), INTENT(in):: valNodes(1:self%nNodes, 1:n) + REAL(8):: f(1:n) + REAL(8):: fPsi(1:self%nNodes) + + fPsi = self%fPsi(Xi) + f = MATMUL(fPsi, valNodes) + + END FUNCTION gatherF_array + + !Gather the spatial derivative of valNodes (scalar) at position Xi + PURE FUNCTION gatherDF_scalar(self, Xi, valNodes) RESULT(df) + IMPLICIT NONE + + CLASS(meshCell), INTENT(in):: self + REAL(8), INTENT(in):: Xi(1:3) + REAL(8), INTENT(in):: valNodes(1:self%nNodes) + REAL(8):: df(1:3) + REAL(8):: dPsi(1:3, 1:self%nNodes) + REAL(8):: dPsiR(1:3, 1:self%nNodes) + REAL(8):: invJ(1:3, 1:3), detJ + + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) + dPsiR = MATMUL(invJ, dPsi)/detJ + df = (/ DOT_PRODUCT(dPsiR(1,:), valNodes), & + DOT_PRODUCT(dPsiR(2,:), valNodes), & + DOT_PRODUCT(dPsiR(3,:), valNodes) /) + + END FUNCTION gatherDF_scalar + + !Scatters particle properties into cell nodes SUBROUTINE scatter(self, part) USE moduleMath USE moduleSpecies USE OMP_LIB IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: self + CLASS(meshCell), INTENT(inout):: self CLASS(particle), INTENT(in):: part - REAL(8), ALLOCATABLE:: fPsi(:) - INTEGER, ALLOCATABLE:: volNodes(:) + REAL(8):: fPsi(1:self%nNodes) + INTEGER:: cellNodes(1:self%nNodes) REAL(8):: tensorS(1:3, 1:3) INTEGER:: sp - INTEGER:: i, nNodes + INTEGER:: i CLASS(meshNode), POINTER:: node - volNodes = self%getNodes() - nNodes = SIZE(volNodes) - ALLOCATE(fPsi(1:nNodes)) - CALL self%fPsi(part%xi, fPsi) + cellNodes = self%getNodes() + fPsi = self%fPsi(part%Xi) tensorS = outerProduct(part%v, part%v) sp = part%species%n - DO i = 1, nNodes - node => mesh%nodes(volNodes(i))%obj + DO i = 1, self%nNodes + node => mesh%nodes(cellNodes(i))%obj CALL OMP_SET_LOCK(node%lock) node%output(sp)%den = node%output(sp)%den + part%weight*fPsi(i) node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*fPsi(i)*part%v(:) @@ -524,18 +615,18 @@ MODULE moduleMesh USE OMP_LIB IMPLICIT NONE - CLASS(meshVol), INTENT(inout):: self + CLASS(meshCell), INTENT(inout):: self CLASS(particle), INTENT(inout), TARGET:: part - CLASS(meshVol), OPTIONAL, INTENT(in):: oldCell - REAL(8):: xi(1:3) + CLASS(meshCell), OPTIONAL, INTENT(in):: oldCell + REAL(8):: Xi(1:3) CLASS(meshElement), POINTER:: nextElement INTEGER:: sp - xi = self%phy2log(part%r) + Xi = self%phy2log(part%r) !Checks if particle is inside 'self' cell - IF (self%inside(xi)) THEN + IF (self%inside(Xi)) THEN part%vol = self%n - part%xi = xi + part%Xi = Xi part%n_in = .TRUE. !Assign particle to listPart_in CALL OMP_SET_LOCK(self%lock) @@ -546,10 +637,10 @@ MODULE moduleMesh ELSE !If not, searches for a neighbour and repeats the process. - CALL self%nextElement(xi, nextElement) + CALL self%nextElement(Xi, nextElement) !Defines the next step SELECT TYPE(nextElement) - CLASS IS(meshVol) + CLASS IS(meshCell) !Particle moved to new cell, repeat find procedure CALL nextElement%findCell(part, self) @@ -598,31 +689,31 @@ MODULE moduleMesh TYPE(particle), INTENT(inout):: part LOGICAL:: found - CLASS(meshVol), POINTER:: vol - REAL(8), DIMENSION(1:3):: xii + CLASS(meshCell), POINTER:: cell + REAL(8), DIMENSION(1:3):: Xi CLASS(meshElement), POINTER:: nextElement INTEGER:: sp found = .FALSE. - vol => meshColl%vols(part%volColl)%obj + cell => meshColl%cells(part%volColl)%obj DO WHILE(.NOT. found) - xii = vol%phy2log(part%r) - IF (vol%inside(xii)) THEN - part%volColl = vol%n - CALL OMP_SET_LOCK(vol%lock) + Xi = cell%phy2log(part%r) + IF (cell%inside(Xi)) THEN + part%volColl = cell%n + CALL OMP_SET_LOCK(cell%lock) sp = part%species%n - CALL vol%listPart_in(sp)%add(part) - vol%totalWeight(sp) = vol%totalWeight(sp) + part%weight - CALL OMP_UNSET_LOCK(vol%lock) + CALL cell%listPart_in(sp)%add(part) + cell%totalWeight(sp) = cell%totalWeight(sp) + part%weight + CALL OMP_UNSET_LOCK(cell%lock) found = .TRUE. ELSE - CALL vol%nextElement(xii, nextElement) + CALL cell%nextElement(Xi, nextElement) SELECT TYPE(nextElement) - CLASS IS(meshVol) + CLASS IS(meshCell) !Try next element - vol => nextElement + cell => nextElement CLASS DEFAULT !Should never happend, but just in case, stops loops @@ -647,15 +738,15 @@ MODULE moduleMesh REAL(8), DIMENSION(1:3), INTENT(in):: r INTEGER:: nVol INTEGER:: e - REAL(8), DIMENSION(1:3):: xii + REAL(8), DIMENSION(1:3):: Xi !Inits RESULT nVol = 0 - DO e = 1, self%numVols - xii = self%vols(e)%obj%phy2log(r) - IF(self%vols(e)%obj%inside(xii)) THEN - nVol = self%vols(e)%obj%n + DO e = 1, self%numCells + Xi = self%cells(e)%obj%phy2log(r) + IF(self%cells(e)%obj%inside(Xi)) THEN + nVol = self%cells(e)%obj%n EXIT END IF @@ -678,7 +769,7 @@ MODULE moduleMesh CLASS(meshGeneric), INTENT(inout), TARGET:: self INTEGER, INTENT(in):: t INTEGER:: e - CLASS(meshVol), POINTER:: vol + CLASS(meshCell), POINTER:: cell INTEGER:: k, i, j INTEGER:: nPart_i, nPart_j, nPart!Number of particles inside the cell REAL(8):: pMax !Maximum probability of collision @@ -689,21 +780,22 @@ MODULE moduleMesh REAL(8):: vRel, rMass, eRel REAL(8):: sigmaVrelTotal REAL(8), ALLOCATABLE:: sigmaVrel(:), probabilityColl(:) - REAL(8):: rnd !Random number for collision + REAL(8):: rnd_real !Random number for collision + INTEGER:: rnd_int !Random number for collision IF (MOD(t, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(part_i, part_j, partTemp_i, partTemp_j) - DO e=1, self%numVols + DO e=1, self%numCells - vol => self%vols(e)%obj + cell => self%cells(e)%obj !TODO: Simplify this, to many sublevels !Iterate over the number of pairs DO k = 1, nCollPairs !Reset tally of collisions IF (collOutput) THEN - vol%tallyColl(k)%tally = 0 + cell%tallyColl(k)%tally = 0 END IF @@ -713,8 +805,8 @@ MODULE moduleMesh j = interactionMatrix(k)%sp_j%n !Number of particles per species in the collision pair - nPart_i = vol%listPart_in(i)%amount - nPart_j = vol%listPart_in(j)%amount + nPart_i = cell%listPart_in(i)%amount + nPart_j = cell%listPart_in(j)%amount IF (nPart_i > 0 .AND. nPart_j > 0) THEN !Total number of particles for the collision pair @@ -724,15 +816,15 @@ MODULE moduleMesh nColl = 0 !Probability of collision for pair i-j - pMax = (vol%totalWeight(i) + vol%totalWeight(j))*vol%sigmaVrelMax(k)*tauColl/vol%volume + pMax = (cell%totalWeight(i) + cell%totalWeight(j))*cell%sigmaVrelMax(k)*tauColl/cell%volume !Number of collisions in the cell nColl = NINT(REAL(nPart)*pMax*0.5D0) !Converts the list of particles to an array for easy access IF (nColl > 0) THEN - partTemp_i = vol%listPart_in(i)%convert2Array() - partTemp_j = vol%listPart_in(j)%convert2Array() + partTemp_i = cell%listPart_in(i)%convert2Array() + partTemp_j = cell%listPart_in(j)%convert2Array() END IF @@ -740,10 +832,10 @@ MODULE moduleMesh !Select random particles part_i => NULL() part_j => NULL() - rnd = random(1, nPart_i) - part_i => partTemp_i(rnd)%part - rnd = random(1, nPart_j) - part_j => partTemp_j(rnd)%part + rnd_int = random(1, nPart_i) + part_i => partTemp_i(rnd_int)%part + rnd_int = random(1, nPart_j) + part_j => partTemp_j(rnd_int)%part !If they are the same particle, skip !TODO: Maybe try to improve this IF (ASSOCIATED(part_i, part_j)) THEN @@ -767,32 +859,32 @@ MODULE moduleMesh CALL interactionMatrix(k)%getSigmaVrel(vRel, eRel, sigmaVrelTotal, sigmaVrel) !Update maximum sigma*v_rel - IF (sigmaVrelTotal > vol%sigmaVrelMax(k)) THEN - vol%sigmaVrelMax(k) = sigmaVrelTotal + IF (sigmaVrelTotal > cell%sigmaVrelMax(k)) THEN + cell%sigmaVrelMax(k) = sigmaVrelTotal END IF ALLOCATE(probabilityColl(0:interactionMatrix(k)%amount)) probabilityColl = 0.0 DO c = 1, interactionMatrix(k)%amount - probabilityColl(c) = sigmaVrel(c)/vol%sigmaVrelMax(k) + SUM(probabilityColl(0:c-1)) + probabilityColl(c) = sigmaVrel(c)/cell%sigmaVrelMax(k) + SUM(probabilityColl(0:c-1)) END DO !Selects random number between 0 and 1 - rnd = random() + rnd_real = random() !If the random number is below the total probability of collision, collide particles - IF (rnd < sigmaVrelTotal / vol%sigmaVrelMax(k)) THEN + IF (rnd_real < sigmaVrelTotal / cell%sigmaVrelMax(k)) THEN !Loop over collisions DO c = 1, interactionMatrix(k)%amount - IF (rnd <= probabilityColl(c)) THEN + IF (rnd_real <= probabilityColl(c)) THEN CALL interactionMatrix(k)%collisions(c)%obj%collide(part_i, part_j, vRel) !If collisions are gonna be output, count the collision IF (collOutput) THEN - vol%tallyColl(k)%tally(c) = vol%tallyColl(k)%tally(c) + 1 + cell%tallyColl(k)%tally(c) = cell%tallyColl(k)%tally(c) + 1 END IF diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 2e15c5c..cc5d78c 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -1,4 +1,4 @@ -!moduleMeshBoundary: Boundary functions +!moduleMeshBoundary: Boundary functions for the mesh edges MODULE moduleMeshBoundary USE moduleMesh @@ -159,7 +159,7 @@ MODULE moduleMeshBoundary newElectron%vol = part%vol newIon%vol = part%vol - newElectron%xi = mesh%vols(part%vol)%obj%phy2log(newElectron%r) + newElectron%xi = mesh%cells(part%vol)%obj%phy2log(newElectron%r) newIon%xi = newElectron%xi newElectron%weight = part%weight diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index ba1edfd..224bfbb 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -439,7 +439,6 @@ MODULE moduleCollisions REAL(8), INTENT(in):: vRel TYPE(particle), INTENT(inout), TARGET:: part_i, part_j TYPE(particle), POINTER:: electron => NULL(), ion => NULL() - REAL(8):: sigmaVrel REAL(8), DIMENSION(1:3):: vp_i TYPE(particle), POINTER:: remainingIon => NULL() diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 6b8c7a0..050ad52 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -132,7 +132,7 @@ MODULE moduleInject IF (doubleMesh) THEN nVolColl = findCellBrute(meshColl, mesh%edges(e)%obj%randPos()) IF (nVolColl > 0) THEN - mesh%edges(e)%obj%eColl => meshColl%vols(nVolColl)%obj + mesh%edges(e)%obj%eColl => meshColl%cells(nVolColl)%obj ELSE CALL criticalError("No connection between edge and meshColl", "initInject") @@ -305,7 +305,7 @@ MODULE moduleInject self%v(3)%obj%randomVel() /) !Obtain natural coordinates of particle in cell - partInj(n)%xi = mesh%vols(partInj(n)%vol)%obj%phy2log(partInj(n)%r) + partInj(n)%Xi = mesh%cells(partInj(n)%vol)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) !Assign cell to new particle diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index ae73ebc..55eb618 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -46,40 +46,6 @@ MODULE moduleEM END SUBROUTINE - PURE FUNCTION gatherElecField(part) RESULT(elField) - USE moduleSpecies - USE moduleMesh - IMPLICIT NONE - - TYPE(particle), INTENT(in):: part - REAl(8):: xi(1:3) !Logical coordinates of particle in element - REAL(8):: elField(1:3) - - elField = 0.D0 - - xi = part%xi - - elField = mesh%vols(part%vol)%obj%gatherEF(xi) - - END FUNCTION gatherElecField - - PURE FUNCTION gatherMagnField(part) RESULT(BField) - USE moduleSpecies - USE moduleMesh - IMPLICIT NONE - - TYPE(particle), INTENT(in):: part - REAl(8):: xi(1:3) !Logical coordinates of particle in element - REAL(8):: BField(1:3) - - BField = 0.D0 - - xi = part%xi - - BField = mesh%vols(part%vol)%obj%gatherMF(xi) - - END FUNCTION gatherMagnField - !Assemble the source vector based on the charge density to solve Poisson's equation SUBROUTINE assembleSourceVector(vectorF) USE moduleMesh @@ -99,8 +65,8 @@ MODULE moduleEM !$OMP END SINGLE !$OMP DO REDUCTION(+:vectorF) - DO e = 1, mesh%numVols - nodes = mesh%vols(e)%obj%getNodes() + DO e = 1, mesh%numCells + nodes = mesh%cells(e)%obj%getNodes() nNodes = SIZE(nodes) !Calculates charge density (rho) in element nodes ALLOCATE(rho(1:nNodes)) @@ -113,7 +79,7 @@ MODULE moduleEM END DO !Calculates local F vector - localF = mesh%vols(e)%obj%elemF(rho) + localF = mesh%cells(e)%obj%elemF(rho) !Assign local F to global F DO i = 1, nNodes diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 135b08f..6962075 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -49,8 +49,8 @@ MODULE moduleSolver IMPLICIT NONE TYPE(particle), INTENT(inout):: part - CLASS(meshVol), POINTER, INTENT(in):: volOld - CLASS(meshVol), POINTER, INTENT(inout):: volNew + CLASS(meshCell), POINTER, INTENT(in):: volOld + CLASS(meshCell), POINTER, INTENT(inout):: volNew END SUBROUTINE weightingScheme_interface @@ -314,10 +314,10 @@ MODULE moduleSolver !$OMP SECTION !Erase the list of particles inside the cell if particles have been pushed DO s = 1, nSpecies - DO e = 1, mesh%numVols + DO e = 1, mesh%numCells IF (solver%pusher(s)%pushSpecies) THEN - CALL mesh%vols(e)%obj%listPart_in(s)%erase() - mesh%vols(e)%obj%totalWeight(s) = 0.D0 + CALL mesh%cells(e)%obj%listPart_in(s)%erase() + mesh%cells(e)%obj%totalWeight(s) = 0.D0 END IF @@ -328,10 +328,10 @@ MODULE moduleSolver !$OMP SECTION !Erase the list of particles inside the cell in coll mesh DO s = 1, nSpecies - DO e = 1, meshColl%numVols + DO e = 1, meshColl%numCells IF (solver%pusher(s)%pushSpecies) THEN - CALL meshColl%vols(e)%obj%listPart_in(s)%erase() - meshColl%vols(e)%obj%totalWeight(s) = 0.D0 + CALL meshColl%cells(e)%obj%listPart_in(s)%erase() + meshColl%cells(e)%obj%totalWeight(s) = 0.D0 END IF @@ -358,7 +358,7 @@ MODULE moduleSolver !Loops over the particles to scatter them !$OMP DO DO n = 1, nPartOld - CALL mesh%vols(partOld(n)%vol)%obj%scatter(partOld(n)) + CALL mesh%cells(partOld(n)%vol)%obj%scatter(partOld(n)) END DO !$OMP END DO @@ -383,8 +383,8 @@ MODULE moduleSolver IMPLICIT NONE TYPE(particle), INTENT(inout):: part - CLASS(meshVol), POINTER, INTENT(in):: volOld - CLASS(meshVol), POINTER, INTENT(inout):: volNew + CLASS(meshCell), POINTER, INTENT(in):: volOld + CLASS(meshCell), POINTER, INTENT(inout):: volNew REAL(8):: fractionVolume, pSplit !If particle changes volume to smaller cell @@ -416,7 +416,7 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part INTEGER, INTENT(in):: nSplit - CLASS(meshVol), INTENT(inout):: vol + CLASS(meshCell), INTENT(inout):: vol REAL(8):: newWeight TYPE(particle), POINTER:: newPart INTEGER:: p @@ -454,15 +454,15 @@ MODULE moduleSolver CLASS(solverGeneric), INTENT(in):: self TYPE(particle), INTENT(inout):: part - CLASS(meshVol), POINTER:: volOld, volNew + CLASS(meshCell), POINTER:: volOld, volNew !Assume that particle is outside the domain part%n_in = .FALSE. - volOld => mesh%vols(part%vol)%obj + volOld => mesh%cells(part%vol)%obj CALL volOld%findCell(part) CALL findCellColl(part) - volNew => mesh%vols(part%vol)%obj + volNew => mesh%cells(part%vol)%obj !Call the NA shcme IF (ASSOCIATED(self%weightingScheme)) THEN CALL self%weightingScheme(part, volOld, volNew) diff --git a/src/modules/solver/pusher/modulePusher.f90 b/src/modules/solver/pusher/modulePusher.f90 index 69fcaab..c2aa46a 100644 --- a/src/modules/solver/pusher/modulePusher.f90 +++ b/src/modules/solver/pusher/modulePusher.f90 @@ -15,7 +15,7 @@ MODULE modulePusher PURE SUBROUTINE pushCartElectrostatic(part, tauIn) USE moduleSPecies - USE moduleEM + USE moduleMesh IMPLICIT NONE TYPE(particle), INTENT(inout):: part @@ -23,7 +23,8 @@ MODULE modulePusher REAL(8):: qmEFt(1:3) !Get the electric field at particle position - qmEFt = part%species%qm*gatherElecField(part)*tauIn + qmEFT = mesh%cells(part%vol)%obj%gatherElectricField(part%Xi) + qmEFt = qmEFt*part%species%qm*tauMin !Update velocity part%v = part%v + qmEFt @@ -34,8 +35,8 @@ MODULE modulePusher END SUBROUTINE pushCartElectrostatic PURE SUBROUTINE pushCartElectromagnetic(part, tauIn) - USE moduleSPecies - USE moduleEM + USE moduleSpecies + USE moduleMesh USE moduleMath IMPLICIT NONE @@ -49,13 +50,14 @@ MODULE modulePusher tauInHalf = tauIn *0.5D0 !Half of the force o f the electric field - qmEFt = part%species%qm*gatherElecField(part)*tauInHalf + qmEFT = mesh%cells(part%vol)%obj%gatherElectricField(part%Xi) + qmEFt = qmEFt*part%species%qm*tauInHalf !Half step for electrostatic v_minus = part%v + qmEFt !Full step rotation - B = gatherMagnField(part) + B = mesh%cells(part%vol)%obj%gatherMagneticField(part%Xi) BNorm = NORM2(B) IF (BNorm > 0.D0) THEN fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm @@ -112,7 +114,7 @@ MODULE modulePusher !Push one particle. Boris pusher for 2D Cyl Electrostatic particle PURE SUBROUTINE push2DCylElectrostatic(part, tauIn) USE moduleSpecies - USE moduleEM + USE moduleMesh IMPLICIT NONE TYPE(particle), INTENT(inout):: part @@ -124,7 +126,8 @@ MODULE modulePusher part_temp = part !Get electric field at particle position - qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauIn + qmEFT = mesh%cells(part_temp%vol)%obj%gatherElectricField(part_temp%Xi) + qmEFt = qmEFt*part_temp%species%qm*tauMin !z part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn @@ -153,7 +156,6 @@ MODULE modulePusher !Push one particle. Boris pusher for 1D Radial Neutral particle PURE SUBROUTINE push1DRadNeutral(part, tauIn) USE moduleSpecies - USE moduleEM IMPLICIT NONE TYPE(particle), INTENT(inout):: part @@ -188,7 +190,7 @@ MODULE modulePusher !Push one particle. Boris pusher for 1D Radial Electrostatic particle PURE SUBROUTINE push1DRadElectrostatic(part, tauIn) USE moduleSpecies - USE moduleEM + USE moduleMesh IMPLICIT NONE TYPE(particle), INTENT(inout):: part @@ -200,7 +202,8 @@ MODULE modulePusher part_temp = part !Get electric field at particle position - qmEFt = part_temp%species%qm*gatherElecField(part_temp)*tauMin + qmEFT = mesh%cells(part_temp%vol)%obj%gatherElectricField(part_temp%Xi) + qmEFt = qmEFt*part_temp%species%qm*tauMin !r,theta v_p_oh_star(1) = part%v(1) + qmEFt(1) x_new = part%r(1) + v_p_oh_star(1)*tauIn @@ -226,7 +229,6 @@ MODULE modulePusher !Dummy pusher for 0D geometry PURE SUBROUTINE push0D(part, tauIn) USE moduleSpecies - USE moduleEM IMPLICIT NONE TYPE(particle), INTENT(inout):: part From 26bd73597dacfb93332a93f55f08c2cbdfea8f6e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 5 Jan 2023 18:47:33 +0100 Subject: [PATCH 072/203] Small improvement for 2DCyl Nothing important, but overhead in dPsi has been reduced. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 199 +++++++----------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 203 +++++++------------ 2 files changed, 153 insertions(+), 249 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 13c5901..e7c6e6f 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -65,14 +65,13 @@ MODULE moduleMesh2DCart !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() REAL(8):: arNodes(1:4) = 0.D0 + CONTAINS PROCEDURE, PASS:: init => initCellQuad2DCart PROCEDURE, PASS:: randPos => randPosCellQuad PROCEDURE, PASS:: area => areaQuad - PROCEDURE, PASS:: fPsi => fPsiQuad - PROCEDURE, PASS:: dPsi => dPsiQuad - PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiQuadXi1 - PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiQuadXi2 + PROCEDURE, PASS:: fPsi => fPsiQuad + PROCEDURE, PASS:: dPsi => dPsiQuad PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad @@ -99,11 +98,9 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: init => initCellTria2DCart PROCEDURE, PASS:: randPos => randPosCellTria PROCEDURE, PASS:: area => areaTria - PROCEDURE, PASS:: fPsi => fPsiTria - PROCEDURE, PASS:: dPsi => dPsiTria - PROCEDURE, NOPASS:: dPsiXi1 => dPsiTriaXi1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiTriaXi2 - PROCEDURE, PASS:: partialDer => partialDerTria + PROCEDURE, PASS:: fPsi => fPsiTria + PROCEDURE, PASS:: dPsi => dPsiTria + PROCEDURE, PASS, PRIVATE:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria PROCEDURE, PASS:: gatherElectricField => gatherEFTria @@ -196,28 +193,6 @@ MODULE moduleMesh2DCart END SUBROUTINE initEdge2DCart - !Random position in quadrilateral volume - FUNCTION randPosCellQuad(self) RESULT(r) - USE moduleRandom - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8):: r(1:3) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4) - - Xi(1) = random(-1.D0, 1.D0) - Xi(2) = random(-1.D0, 1.D0) - Xi(3) = 0.D0 - - fPsi = self%fPsi(Xi) - - r(1) = DOT_PRODUCT(fPsi, self%x) - r(2) = DOT_PRODUCT(fPsi, self%y) - r(3) = 0.D0 - - END FUNCTION randposCellQuad - !Get nodes from edge PURE FUNCTION getNodes2DCart(self) RESULT(n) IMPLICIT NONE @@ -225,6 +200,7 @@ MODULE moduleMesh2DCart CLASS(meshEdge2DCart), INTENT(in):: self INTEGER, ALLOCATABLE:: n(:) + ALLOCATE(n(1:2)) n = (/self%n1%n, self%n2%n /) END FUNCTION getNodes2DCart @@ -354,41 +330,21 @@ MODULE moduleMesh2DCart dPsi = 0.D0 - dPsi(1,:) = dPsiQuadXi1(Xi(2)) - dPsi(2,:) = dPsiQuadXi2(Xi(1)) + dPsi(1,:) = (/ -(1.D0 - Xi(2)), & + (1.D0 - Xi(2)), & + (1.D0 + Xi(2)), & + -(1.D0 + Xi(2)) /) + + dPsi(2,:) = (/ -(1.D0 - Xi(1)), & + -(1.D0 + Xi(1)), & + (1.D0 + Xi(1)), & + (1.D0 - Xi(1)) /) + + dPsi = dPsi * 0.25D0 END FUNCTION dPsiQuad - !Derivative element function (Xi1) - PURE FUNCTION dPsiQuadXi1(Xi2) RESULT(dPsiXi1) - IMPLICIT NONE - - REAL(8),INTENT(in):: Xi2 - REAL(8):: dPsiXi1(1:4) - - dPsiXi1(1) = -(1.D0-Xi2) - dPsiXi1(2) = (1.D0-Xi2) - dPsiXi1(3) = (1.D0+Xi2) - dPsiXi1(4) = -(1.D0+Xi2) - dPsiXi1 = dPsiXi1*0.25D0 - - END FUNCTION dPsiQuadXi1 - - !Derivative element function (Xi2) - PURE FUNCTION dPsiQuadXi2(Xi1) RESULT(dPsiXi2) - IMPLICIT NONE - - REAL(8),INTENT(in):: Xi1 - REAL(8):: dPsiXi2(1:4) - - dPsiXi2(1) = -(1.D0-Xi1) - dPsiXi2(2) = -(1.D0+Xi1) - dPsiXi2(3) = (1.D0+Xi1) - dPsiXi2(4) = (1.D0-Xi1) - dPsiXi2 = dPsiXi2*0.25D0 - - END FUNCTION dPsiQuadXi2 - + !Partial derivative in global coordinates PURE SUBROUTINE partialDerQuad(self, dPsi, dx, dy) IMPLICIT NONE @@ -396,13 +352,35 @@ MODULE moduleMesh2DCart REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy - dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) - dx(2) = DOT_PRODUCT(dPsi(2,:),self%x) - dy(1) = DOT_PRODUCT(dPsi(1,:),self%y) - dy(2) = DOT_PRODUCT(dPsi(2,:),self%y) + dx = (/ DOT_PRODUCT(dPsi(1,1:4),self%x(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%x(1:4)) /) + dy = (/ DOT_PRODUCT(dPsi(1,1:4),self%y(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%y(1:4)) /) END SUBROUTINE partialDerQuad + !Random position in quadrilateral volume + FUNCTION randPosCellQuad(self) RESULT(r) + USE moduleRandom + IMPLICIT NONE + + CLASS(meshCell2DCartQuad), INTENT(in):: self + REAL(8):: r(1:3) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4) + + Xi(1) = random(-1.D0, 1.D0) + Xi(2) = random(-1.D0, 1.D0) + Xi(3) = 0.D0 + + fPsi = self%fPsi(Xi) + + r(1) = DOT_PRODUCT(fPsi, self%x) + r(2) = DOT_PRODUCT(fPsi, self%y) + r(3) = 0.D0 + + END FUNCTION randPosCellQuad + !Computes element local stiffness matrix PURE FUNCTION elemKQuad(self) RESULT(localK) IMPLICIT NONE @@ -419,14 +397,15 @@ MODULE moduleMesh2DCart !Start 2D Gauss Quad Integral DO l=1, 3 Xi(2) = corQuad(l) - dPsi(1,:) = self%dPsiXi1(Xi(2)) DO m = 1, 3 - Xi(1) = corQuad(m) - dPsi(2,:) = self%dPsiXi2(Xi(1)) - fPsi = self%fPsi(Xi) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wQuad(l)*wQuad(m)/detJ + Xi(1) = corQuad(m) + fPsi = self%fPsi(Xi) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & + wQuad(l)*wQuad(m)/detJ END DO END DO @@ -533,24 +512,25 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) + REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates - conv=1.D0 - XiO=0.D0 + conv = 1.D0 + XiO = 0.D0 - DO WHILE(conv>1.D-3) + DO WHILE(conv > 1.D-3) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) fPsi = self%fPsi(XiO) - f(1) = DOT_PRODUCT(fPsi,self%x)-r(1) - f(2) = DOT_PRODUCT(fPsi,self%y)-r(2) - detJ = self%detJac(XiO,dPsi) - Xi(1:2)=XiO(1:2) - MATMUL(invJ, f)/detJ - conv=MAXVAL(DABS(Xi-XiO),1) - XiO=Xi + f = (/ DOT_PRODUCT(fPsi,self%x), & + DOT_PRODUCT(fPsi,self%y), & + 0.D0 /) + f = f - r + Xi = XiO - MATMUL(invJ, f)/detJ + conv = MAXVAL(DABS(Xi-XiO),1) + XiO = Xi END DO @@ -644,7 +624,7 @@ MODULE moduleMesh2DCart r(2) = DOT_PRODUCT(fPsi, self%y) r(3) = 0.D0 - END FUNCTION randposCellTria + END FUNCTION randPosCellTria !Calculates area for triangular element PURE SUBROUTINE areaTria(self) @@ -690,37 +670,11 @@ MODULE moduleMesh2DCart dPsi = 0.D0 - dPsi(1,:) = dPsiTriaXi1(Xi(2)) - dPsi(2,:) = dPsiTriaXi2(Xi(1)) + dPsi(1,:) = (/ -1.D0, 1.D0, 0.D0 /) + dPsi(2,:) = (/ -1.D0, 0.D0, 1.D0 /) END FUNCTION dPsiTria - !Derivative element function (Xi1) - PURE FUNCTION dPsiTriaXi1(Xi2) RESULT(dPsiXi1) - IMPLICIT NONE - - REAL(8), INTENT(in):: Xi2 - REAL(8):: dPsiXi1(1:3) - - dPsiXi1(1) = -1.D0 - dPsiXi1(2) = 1.D0 - dPsiXi1(3) = 0.D0 - - END FUNCTION dPsiTriaXi1 - - !Derivative element function (Xi1) - PURE FUNCTION dPsiTriaXi2(Xi1) RESULT(dPsiXi2) - IMPLICIT NONE - - REAL(8), INTENT(in):: Xi1 - REAL(8):: dPsiXi2(1:3) - - dPsiXi2(1) = -1.D0 - dPsiXi2(2) = 0.D0 - dPsiXi2(3) = 1.D0 - - END FUNCTION dPsiTriaXi2 - PURE SUBROUTINE partialDerTria(self, dPsi, dx, dy) IMPLICIT NONE @@ -728,10 +682,10 @@ MODULE moduleMesh2DCart REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy - dx(1) = DOT_PRODUCT(dPsi(1,:),self%x) - dx(2) = DOT_PRODUCT(dPsi(2,:),self%x) - dy(1) = DOT_PRODUCT(dPsi(1,:),self%y) - dy(2) = DOT_PRODUCT(dPsi(2,:),self%y) + dx = (/ DOT_PRODUCT(dPsi(1,:),self%x), & + DOT_PRODUCT(dPsi(2,:),self%x) /) + dy = (/ DOT_PRODUCT(dPsi(1,:),self%y), & + DOT_PRODUCT(dPsi(2,:),self%y) /) END SUBROUTINE partialDerTria @@ -755,7 +709,7 @@ MODULE moduleMesh2DCart dPsi = self%dPsi(Xi) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -781,7 +735,7 @@ MODULE moduleMesh2DCart Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wTria(l)*detJ @@ -902,8 +856,8 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) - REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ + REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1:2), dy(1:2) IF(PRESENT(dPsi_in)) THEN @@ -915,6 +869,7 @@ MODULE moduleMesh2DCart END IF CALL self%partialDer(dPsi, dx, dy) + dJ = dx(1)*dy(2)-dx(2)*dy(1) END FUNCTION detJ2DCart @@ -926,9 +881,9 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + REAL(8):: invJ(1:3,1:3) REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1:2), dy(1:2) - REAL(8):: invJ(1:3,1:3) IF(PRESENT(dPsi_in)) THEN dPsi=dPsi_in @@ -1351,7 +1306,7 @@ MODULE moduleMesh2DCart !Revers the normal to point inside the domain elemB%normal = - elemB%normal - + END IF END IF diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 9032d61..6a47027 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -68,12 +68,10 @@ MODULE moduleMesh2DCyl CONTAINS PROCEDURE, PASS:: init => initCellQuad2DCyl - PROCEDURE, PASS:: randPos => randPosVolQuad + PROCEDURE, PASS:: randPos => randPosCellQuad PROCEDURE, PASS:: area => areaQuad PROCEDURE, PASS:: fPsi => fPsiQuad PROCEDURE, PASS:: dPsi => dPsiQuad - PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiQuadXi1 - PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiQuadXi2 PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad PROCEDURE, PASS:: elemK => elemKQuad PROCEDURE, PASS:: elemF => elemFQuad @@ -98,12 +96,10 @@ MODULE moduleMesh2DCyl CONTAINS PROCEDURE, PASS:: init => initCellTria2DCyl - PROCEDURE, PASS:: randPos => randPosVolTria + PROCEDURE, PASS:: randPos => randPosCellTria PROCEDURE, PASS:: area => areaTria PROCEDURE, PASS:: fPsi => fPsiTria PROCEDURE, PASS:: dPsi => dPsiTria - PROCEDURE, NOPASS:: dPsiXi1 => dPsiTriaXi1 - PROCEDURE, NOPASS:: dPsiXi2 => dPsiTriaXi2 PROCEDURE, PASS, PRIVATE:: partialDer => partialDerTria PROCEDURE, PASS:: elemK => elemKTria PROCEDURE, PASS:: elemF => elemFTria @@ -183,6 +179,7 @@ MODULE moduleMesh2DCyl self%z(2)-self%z(1) , & 0.D0 /) self%normal = self%normal/NORM2(self%normal) + !Boundary index self%boundary => boundary(bt) ALLOCATE(self%fboundary(1:nSpecies)) @@ -210,7 +207,6 @@ MODULE moduleMesh2DCyl END FUNCTION getNodes2DCyl PURE FUNCTION intersection2DCylEdge(self, r0) RESULT(r) - USE moduleMath IMPLICIT NONE CLASS(meshEdge2DCyl), INTENT(in):: self @@ -317,20 +313,16 @@ MODULE moduleMesh2DCyl self%volume = r*detJ !Computes volume per node Xi = (/-5.D-1, -5.D-1, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(1) = fPsi(1)*r*detJ Xi = (/ 5.D-1, -5.D-1, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(2) = fPsi(2)*r*detJ Xi = (/ 5.D-1, 5.D-1, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(3) = fPsi(3)*r*detJ Xi = (/-5.D-1, 5.D-1, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad @@ -362,43 +354,20 @@ MODULE moduleMesh2DCyl dPsi = 0.D0 - dPsi(1,:) = dPsiQuadXi1(Xi(2)) - dPsi(2,:) = dPsiQuadXi2(Xi(1)) + dPsi(1,:) = (/ -(1.D0 - Xi(2)), & + (1.D0 - Xi(2)), & + (1.D0 + Xi(2)), & + -(1.D0 + Xi(2)) /) + + dPsi(2,:) = (/ -(1.D0 - Xi(1)), & + -(1.D0 + Xi(1)), & + (1.D0 + Xi(1)), & + (1.D0 - Xi(1)) /) + + dPsi = dPsi * 0.25D0 END FUNCTION dPsiQuad - !Derivative element function (Xi1) - PURE FUNCTION dPsiQuadXi1(Xi2) RESULT(dPsiXi1) - IMPLICIT NONE - - REAL(8),INTENT(in):: Xi2 - REAL(8):: dPsiXi1(1:4) - - dPsiXi1(1) = -(1.D0 - Xi2) - dPsiXi1(2) = (1.D0 - Xi2) - dPsiXi1(3) = (1.D0 + Xi2) - dPsiXi1(4) = -(1.D0 + Xi2) - - dPsiXi1 = dPsiXi1*0.25D0 - - END FUNCTION dPsiQuadXi1 - - !Derivative element function (Xi2) - PURE FUNCTION dPsiQuadXi2(Xi1) RESULT(dPsiXi2) - IMPLICIT NONE - - REAL(8),INTENT(in):: Xi1 - REAL(8):: dPsiXi2(1:4) - - dPsiXi2(1) = -(1.D0 - Xi1) - dPsiXi2(2) = -(1.D0 + Xi1) - dPsiXi2(3) = (1.D0 + Xi1) - dPsiXi2(4) = (1.D0 - Xi1) - - dPsiXi2 = dPsiXi2 * 0.25D0 - - END FUNCTION dPsiQuadXi2 - !Partial derivative in global coordinates PURE SUBROUTINE partialDerQuad(self, dPsi, dz, dr) IMPLICIT NONE @@ -407,15 +376,15 @@ MODULE moduleMesh2DCyl REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr - dz(1) = DOT_PRODUCT(dPsi(1,:),self%z) - dz(2) = DOT_PRODUCT(dPsi(2,:),self%z) - dr(1) = DOT_PRODUCT(dPsi(1,:),self%r) - dr(2) = DOT_PRODUCT(dPsi(2,:),self%r) + dz = (/ DOT_PRODUCT(dPsi(1,1:4),self%z(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%z(1:4)) /) + dr = (/ DOT_PRODUCT(dPsi(1,1:4),self%r(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%r(1:4)) /) END SUBROUTINE partialDerQuad !Random position in quadrilateral volume - FUNCTION randPosVolQuad(self) RESULT(r) + FUNCTION randPosCellQuad(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -434,7 +403,7 @@ MODULE moduleMesh2DCyl r(2) = DOT_PRODUCT(fPsi, self%r) r(3) = 0.D0 - END FUNCTION randposVolQuad + END FUNCTION randPosCellQuad !Computes element local stiffness matrix PURE FUNCTION elemKQuad(self) RESULT(localK) @@ -443,8 +412,9 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8):: localK(1:self%nNodes,1:self%nNodes) - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3,1:4) + REAL(8):: r REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l, m @@ -453,17 +423,16 @@ MODULE moduleMesh2DCyl !Start 2D Gauss Quad Integral DO l=1, 3 Xi(2) = corQuad(l) - dPsi(1,:) = self%dPsiXi1(Xi(2)) DO m = 1, 3 - Xi(1) = corQuad(m) - dPsi(2,:) = self%dPsiXi2(Xi(1)) - fPsi = self%fPsi(Xi) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) - r = DOT_PRODUCT(fPsi,self%r) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & - MATMUL(invJ,dPsi))* & - r*wQuad(l)*wQuad(m)/detJ + Xi(1) = corQuad(m) + fPsi = self%fPsi(Xi) + dPsi = self%dPsi(Xi) + detJ = self%detJac(Xi,dPsi) + invJ = self%invJac(Xi,dPsi) + r = DOT_PRODUCT(fPsi,self%r) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & + r*wQuad(l)*wQuad(m)/detJ END DO END DO @@ -479,8 +448,9 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: source(1:self%nNodes) REAL(8):: localF(1:self%nNodes) - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) + REAL(8):: r REAL(8):: detJ, f INTEGER:: l, m @@ -574,23 +544,24 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: XiO(1:3), detJ, invJ(1:2,1:2), f(1:2) + REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: conv !Iterative newton method to transform coordinates - conv=1.D0 - XiO=0.D0 + conv = 1.D0 + XiO = 0.D0 - DO WHILE(conv>1.D-3) + DO WHILE(conv > 1.D-3) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) detJ = self%detJac(XiO, dPsi) fPsi = self%fPsi(XiO) f = (/ DOT_PRODUCT(fPsi,self%z), & - DOT_PRODUCT(fPsi,self%r) /) - f = f - r(1:2) - Xi(1:2) = XiO(1:2) - MATMUL(invJ, f)/detJ + DOT_PRODUCT(fPsi,self%r), & + 0.D0 /) + f = f - r + Xi = XiO - MATMUL(invJ, f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi @@ -667,7 +638,7 @@ MODULE moduleMesh2DCyl END SUBROUTINE initCellTria2DCyl !Random position in quadrilateral volume - FUNCTION randPosVolTria(self) RESULT(r) + FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -686,7 +657,7 @@ MODULE moduleMesh2DCyl r(2) = DOT_PRODUCT(fPsi, self%r) r(3) = 0.D0 - END FUNCTION randposVolTria + END FUNCTION randPosCellTria !Calculates area for triangular element PURE SUBROUTINE areaTria(self) @@ -694,7 +665,8 @@ MODULE moduleMesh2DCyl IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(inout):: self - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) + REAL(8):: r REAL(8):: detJ REAL(8):: fPsi(1:3) @@ -736,37 +708,11 @@ MODULE moduleMesh2DCyl dPsi = 0.D0 - dPsi(1,:) = dPsiTriaXi1(Xi(2)) - dPsi(2,:) = dPsiTriaXi2(Xi(1)) + dPsi(1,:) = (/ -1.D0, 1.D0, 0.D0 /) + dPsi(2,:) = (/ -1.D0, 0.D0, 1.D0 /) END FUNCTION dPsiTria - !Derivative element function (Xi1) - PURE FUNCTION dPsiTriaXi1(Xi2) RESULT(dPsiXi1) - IMPLICIT NONE - - REAL(8), INTENT(in):: Xi2 - REAL(8):: dPsiXi1(1:3) - - dPsiXi1(1) = -1.D0 - dPsiXi1(2) = 1.D0 - dPsiXi1(3) = 0.D0 - - END FUNCTION dPsiTriaXi1 - - !Derivative element function (Xi1) - PURE FUNCTION dPsiTriaXi2(Xi1) RESULT(dPsiXi2) - IMPLICIT NONE - - REAL(8), INTENT(in):: Xi1 - REAL(8):: dPsiXi2(1:3) - - dPsiXi2(1) = -1.D0 - dPsiXi2(2) = 0.D0 - dPsiXi2(3) = 1.D0 - - END FUNCTION dPsiTriaXi2 - PURE SUBROUTINE partialDerTria(self, dPsi, dz, dr) IMPLICIT NONE @@ -774,10 +720,10 @@ MODULE moduleMesh2DCyl REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr - dz(1) = DOT_PRODUCT(dPsi(1,:),self%z) - dz(2) = DOT_PRODUCT(dPsi(2,:),self%z) - dr(1) = DOT_PRODUCT(dPsi(1,:),self%r) - dr(2) = DOT_PRODUCT(dPsi(2,:),self%r) + dz = (/ DOT_PRODUCT(dPsi(1,:),self%z), & + DOT_PRODUCT(dPsi(2,:),self%z) /) + dr = (/ DOT_PRODUCT(dPsi(1,:),self%r), & + DOT_PRODUCT(dPsi(2,:),self%r) /) END SUBROUTINE partialDerTria @@ -788,7 +734,8 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8):: localK(1:self%nNodes,1:self%nNodes) - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) + REAL(8):: r REAL(8):: fPsi(1:3), dPsi(1:3,1:3) REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l @@ -820,7 +767,8 @@ MODULE moduleMesh2DCyl REAL(8), INTENT(in):: source(1:self%nNodes) REAL(8):: localF(1:self%nNodes) REAL(8):: fPsi(1:3) - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) + REAL(8):: r REAL(8):: detJ, f INTEGER:: l @@ -909,17 +857,17 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: invJ(1:2,1:2), detJ - REAL(8):: deltaR(1:2) + REAL(8):: invJ(1:3,1:3), detJ + REAL(8):: deltaR(1:3) REAL(8):: dPsi(1:3,1:3) !Direct method to convert coordinates - Xi = 0.D0 !Irrelevant, required for input - deltaR = (/ r(1) - self%z(1), r(2) - self%r(1) /) - dPsi = self%dPsi(Xi) - invJ = self%invJac(Xi, dPsi) - detJ = self%detJac(Xi, dPsi) - Xi(1:2) = MATMUL(invJ,deltaR)/detJ + Xi = 0.D0 + deltaR = (/ r(1) - self%z(1), r(2) - self%r(1), 0.D0 /) + dPsi = self%dPsi(Xi) + invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, dPsi) + Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria @@ -967,6 +915,7 @@ MODULE moduleMesh2DCyl END IF CALL self%partialDer(dPsi, dz, dr) + dJ = dz(1)*dr(2)-dz(2)*dr(1) END FUNCTION detJ2DCyl @@ -1006,10 +955,10 @@ MODULE moduleMesh2DCyl INTEGER:: e, et DO e = 1, self%numCells - !Connect Vol-Vol + !Connect Cell-Cell DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -1017,9 +966,9 @@ MODULE moduleMesh2DCyl SELECT TYPE(self) TYPE IS(meshParticles) - !Connect Vol-Edge + !Connect Cell-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -1030,7 +979,7 @@ MODULE moduleMesh2DCyl END SUBROUTINE connectMesh2DCyl !Selects type of elements to build connection - SUBROUTINE connectVolVol(elemA, elemB) + SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -1065,9 +1014,9 @@ MODULE moduleMesh2DCyl END SELECT - END SUBROUTINE connectVolVol + END SUBROUTINE connectCellCell - SUBROUTINE connectVolEdge(elemA, elemB) + SUBROUTINE connectCellEdge(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -1088,7 +1037,7 @@ MODULE moduleMesh2DCyl END SELECT - END SUBROUTINE connectVolEdge + END SUBROUTINE connectCellEdge SUBROUTINE connectQuadQuad(elemA, elemB) IMPLICIT NONE From 6f24b5f1f6690e457fa6f3890b0d591a7606485a Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 5 Jan 2023 20:32:45 +0100 Subject: [PATCH 073/203] Small changes before trying something big I think that creating arrays with self%nNodes takes a lot of time. I'm trying now to pass the number of nodes as argument. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 2 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 2 +- src/modules/moduleList.f90 | 3 +++ 3 files changed, 5 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index e7c6e6f..b3f65e4 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -520,7 +520,7 @@ MODULE moduleMesh2DCart conv = 1.D0 XiO = 0.D0 - DO WHILE(conv > 1.D-3) + DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) fPsi = self%fPsi(XiO) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 6a47027..8f1ee5f 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -552,7 +552,7 @@ MODULE moduleMesh2DCyl conv = 1.D0 XiO = 0.D0 - DO WHILE(conv > 1.D-3) + DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO) invJ = self%invJac(XiO, dPsi) detJ = self%detJac(XiO, dPsi) diff --git a/src/modules/moduleList.f90 b/src/modules/moduleList.f90 index b040c80..b1dafdc 100644 --- a/src/modules/moduleList.f90 +++ b/src/modules/moduleList.f90 @@ -92,9 +92,12 @@ MODULE moduleList DEALLOCATE(current) current => next END DO + IF (ASSOCIATED(self%head)) NULLIFY(self%head) IF (ASSOCIATED(self%tail)) NULLIFY(self%tail) + self%amount = 0 + END SUBROUTINE eraseList SUBROUTINE setLock(self) From 15d64f3e68f683d01de9c4a07cd2e5654169ab08 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 5 Jan 2023 21:22:13 +0100 Subject: [PATCH 074/203] Passing nNodes as argument It seems that this improves results as passing the size of the arrays as an argument is better than getting it from self. --- src/modules/init/moduleInput.f90 | 4 +- src/modules/mesh/0D/moduleMesh0D.f90 | 10 ++- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 56 +++++++------- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 78 ++++++++++---------- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 50 +++++++------ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 58 ++++++++------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 28 +++---- src/modules/mesh/moduleMesh.f90 | 18 +++-- 8 files changed, 159 insertions(+), 143 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 3ff9e5b..1a439cc 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -362,7 +362,7 @@ MODULE moduleInput nodes = mesh%cells(e)%obj%getNodes() nNodes = mesh%cells(e)%obj%nNodes ALLOCATE(fPsi(1:nNodes)) - fPsi = mesh%cells(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/)) + fPsi = mesh%cells(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/), nNodes) ALLOCATE(source(1:nNodes)) DO j = 1, nNodes source(j) = density(nodes(j)) @@ -380,7 +380,7 @@ MODULE moduleInput partNew%r = mesh%cells(e)%obj%randPos() partNew%xi = mesh%cells(e)%obj%phy2log(partNew%r) !Get mean velocity at particle position - fPsi = mesh%cells(e)%obj%fPsi(partNew%xi) + fPsi = mesh%cells(e)%obj%fPsi(partNew%xi, nNodes) DO j = 1, nNodes source(j) = velocity(nodes(j), 1) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index a57f244..65b13a3 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -109,23 +109,25 @@ MODULE moduleMesh0D END FUNCTION randPos0D - PURE FUNCTION fPsi0D(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsi0D(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) fPsi = 1.D0 END FUNCTION fPsi0D - PURE FUNCTION dPsi0D(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsi0D(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 0f46ba5..982c703 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -230,7 +230,7 @@ MODULE moduleMesh1DCart Xi(1) = random(-1.D0, 1.D0) Xi(2:3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) r(1) = DOT_PRODUCT(fPsi, self%x) END FUNCTION randPos1DCartSegm @@ -249,7 +249,7 @@ MODULE moduleMesh1DCart self%arNodes = 0.D0 !1 point Gauss integral Xi = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) detJ = self%detJac(Xi) l = 2.D0*detJ self%volume = l @@ -258,27 +258,29 @@ MODULE moduleMesh1DCart END SUBROUTINE areaSegm !Computes element functions at point Xi - PURE FUNCTION fPsiSegm(self, xi) RESULT(fPsi) + PURE FUNCTION fPsiSegm(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) - fPsi(1) = 1.D0 - xi(1) - fPsi(2) = 1.D0 + xi(1) + fPsi(1) = 1.D0 - Xi(1) + fPsi(2) = 1.D0 + Xi(1) fPsi = fPsi * 5.D-1 END FUNCTION fPsiSegm !Computes element derivative shape function at Xi - PURE FUNCTION dPsiSegm(self, xi) RESULT(dPsi) + PURE FUNCTION dPsiSegm(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -314,7 +316,7 @@ MODULE moduleMesh1DCart Xi = 0.D0 DO l = 1, 3 Xi(1) = corSeg(l) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 2) detJ = self%detJac(Xi, dPsi) invJ = self%invJac(Xi, dPsi) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & @@ -342,7 +344,7 @@ MODULE moduleMesh1DCart DO l = 1, 3 Xi(1) = corSeg(l) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wSeg(l)*detJ @@ -384,14 +386,14 @@ MODULE moduleMesh1DCart END FUNCTION gatherMFSegm - PURE FUNCTION insideSegm(xi) RESULT(ins) + PURE FUNCTION insideSegm(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins - ins = xi(1) >=-1.D0 .AND. & - xi(1) <= 1.D0 + ins = Xi(1) >=-1.D0 .AND. & + Xi(1) <= 1.D0 END FUNCTION insideSegm @@ -418,19 +420,19 @@ MODULE moduleMesh1DCart END FUNCTION phy2logSegm - !Get next element for a logical position xi - SUBROUTINE nextElementSegm(self, xi, nextElement) + !Get next element for a logical position Xi + SUBROUTINE nextElementSegm(self, Xi, nextElement) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement NULLIFY(nextElement) - IF (xi(1) < -1.D0) THEN + IF (Xi(1) < -1.D0) THEN nextElement => self%e2 - ELSEIF (xi(1) > 1.D0) THEN + ELSEIF (Xi(1) > 1.D0) THEN nextElement => self%e1 END IF @@ -440,11 +442,11 @@ MODULE moduleMesh1DCart !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS !Calculates a random position in 1D volume !Computes the element Jacobian determinant - PURE FUNCTION detJ1DCart(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ1DCart(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell1DCart), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ @@ -454,7 +456,7 @@ MODULE moduleMesh1DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi, 2) END IF @@ -464,11 +466,11 @@ MODULE moduleMesh1DCart END FUNCTION detJ1DCart !Computes the invers Jacobian - PURE FUNCTION invJ1DCart(self, xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ1DCart(self, Xi, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell1DCart), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) REAL(8):: invJ(1:3,1:3) REAL(8):: dPsi(1:3,1:self%nNodes) @@ -478,7 +480,7 @@ MODULE moduleMesh1DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi, 2) END IF diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 8ebac17..1ce7836 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -232,7 +232,7 @@ MODULE moduleMesh1DRad Xi(1) = random(-1.D0, 1.D0) Xi(2:3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) r(1) = DOT_PRODUCT(fPsi, self%r) END FUNCTION randPos1DRadSeg @@ -252,7 +252,7 @@ MODULE moduleMesh1DRad self%arNodes = 0.D0 !1 point Gauss integral Xi = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) detJ = self%detJac(Xi) !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) @@ -260,38 +260,38 @@ MODULE moduleMesh1DRad self%volume = r*l !Computes volume per node Xi = (/-5.D-1, 0.D0, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(1) = fPsi(1)*r*l Xi = (/ 5.D-1, 0.D0, 0.D0/) - fPsi_node = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi_node,self%r) + r = self%gatherF(Xi, self%r) self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad !Computes element functions at point Xi - PURE FUNCTION fPsiRad(self, xi) RESULT(fPsi) + PURE FUNCTION fPsiRad(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) - fPsi(1) = 1.D0 - xi(1) - fPsi(2) = 1.D0 + xi(1) + fPsi(1) = 1.D0 - Xi(1) + fPsi(2) = 1.D0 + Xi(1) fPsi = fPsi * 5.D-1 END FUNCTION fPsiRad !Computes element derivative shape function at Xi - PURE FUNCTION dPsiRad(self, xi) RESULT(dPsi) + PURE FUNCTION dPsiRad(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -328,15 +328,15 @@ MODULE moduleMesh1DRad localK = 0.D0 Xi = 0.D0 DO l = 1, 3 - Xi(1) = corSeg(l) - dPsi = self%dPsi(Xi) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) - fPsi = self%fPsi(Xi) - r = DOT_PRODUCT(fPsi, self%r) - localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & - r*wSeg(l)/detJ + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi, 2) + detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, dPsi) + fPsi = self%fPsi(Xi, 2) + r = DOT_PRODUCT(fPsi, self%r) + localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + r*wSeg(l)/detJ END DO @@ -362,7 +362,7 @@ MODULE moduleMesh1DRad DO l = 1, 3 Xi(1) = corSeg(l) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 2) r = DOT_PRODUCT(fPsi, self%r) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*r*wSeg(l)*detJ @@ -405,14 +405,14 @@ MODULE moduleMesh1DRad END FUNCTION gatherMFRad - PURE FUNCTION insideRad(xi) RESULT(ins) + PURE FUNCTION insideRad(Xi) RESULT(ins) IMPLICIT NONE - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) LOGICAL:: ins - ins = xi(1) >=-1.D0 .AND. & - xi(1) <= 1.D0 + ins = Xi(1) >=-1.D0 .AND. & + Xi(1) <= 1.D0 END FUNCTION insideRad @@ -439,19 +439,19 @@ MODULE moduleMesh1DRad END FUNCTION phy2logRad - !Get next element for a logical position xi - SUBROUTINE nextElementRad(self, xi, nextElement) + !Get next element for a logical position Xi + SUBROUTINE nextElementRad(self, Xi, nextElement) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) CLASS(meshElement), POINTER, INTENT(out):: nextElement NULLIFY(nextElement) - IF (xi(1) < -1.D0) THEN + IF (Xi(1) < -1.D0) THEN nextElement => self%e2 - ELSEIF (xi(1) > 1.D0) THEN + ELSEIF (Xi(1) > 1.D0) THEN nextElement => self%e1 END IF @@ -460,11 +460,11 @@ MODULE moduleMesh1DRad !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS !Computes the element Jacobian determinant - PURE FUNCTION detJ1DRad(self, xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ1DRad(self, Xi, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell1DRad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dJ @@ -474,7 +474,7 @@ MODULE moduleMesh1DRad dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi, 2) END IF @@ -484,11 +484,11 @@ MODULE moduleMesh1DRad END FUNCTION detJ1DRad !Computes the invers Jacobian - PURE FUNCTION invJ1DRad(self, xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ1DRad(self, Xi, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell1DRad), INTENT(in):: self - REAL(8), INTENT(in):: xi(1:3) + REAL(8), INTENT(in):: Xi(1:3) REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) REAL(8):: dPsi(1:3,1:self%nNodes) REAL(8):: dx(1) @@ -498,7 +498,7 @@ MODULE moduleMesh1DRad dPsi = dPsi_in ELSE - dPsi = self%dPsi(xi) + dPsi = self%dPsi(Xi, 2) END IF diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index b3f65e4..649b8fb 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -297,19 +297,20 @@ MODULE moduleMesh2DCart !2D 1 point Gauss Quad Integral Xi = 0.D0 detJ = self%detJac(Xi)*4.D0 !4 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaQuad !Computes element functions in point Xi - PURE FUNCTION fPsiQuad(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsiQuad(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) @@ -321,12 +322,13 @@ MODULE moduleMesh2DCart END FUNCTION fPsiQuad !Derivative element function at coordinates Xi - PURE FUNCTION dPsiQuad(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsiQuad(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -373,7 +375,7 @@ MODULE moduleMesh2DCart Xi(2) = random(-1.D0, 1.D0) Xi(3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) @@ -399,8 +401,8 @@ MODULE moduleMesh2DCart Xi(2) = corQuad(l) DO m = 1, 3 Xi(1) = corQuad(m) - fPsi = self%fPsi(Xi) - dPsi = self%dPsi(Xi) + fPsi = self%fPsi(Xi, 4) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & @@ -431,7 +433,7 @@ MODULE moduleMesh2DCart DO m = 1, 3 Xi(2) = corQuad(m) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -521,9 +523,9 @@ MODULE moduleMesh2DCart XiO = 0.D0 DO WHILE(conv > 1.D-2) - dPsi = self%dPsi(XiO) + dPsi = self%dPsi(XiO, 4) invJ = self%invJac(XiO, dPsi) - fPsi = self%fPsi(XiO) + fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%x), & DOT_PRODUCT(fPsi,self%y), & 0.D0 /) @@ -618,7 +620,7 @@ MODULE moduleMesh2DCart Xi(2) = random( 0.D0, 1.D0 - Xi(1)) Xi(3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) @@ -640,19 +642,20 @@ MODULE moduleMesh2DCart !2D 1 point Gauss Quad Integral Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(Xi)/2.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) self%volume = detJ self%arNodes = fPsi*detJ END SUBROUTINE areaTria !Shape functions for triangular element - PURE FUNCTION fPsiTria(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsiTria(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) fPsi(1) = 1.D0 - Xi(1) - Xi(2) fPsi(2) = Xi(1) @@ -661,12 +664,13 @@ MODULE moduleMesh2DCart END FUNCTION fPsiTria !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTria(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsiTria(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -706,10 +710,10 @@ MODULE moduleMesh2DCart DO l=1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -735,7 +739,7 @@ MODULE moduleMesh2DCart Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wTria(l)*detJ @@ -818,7 +822,7 @@ MODULE moduleMesh2DCart !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) invJ = self%invJac(Xi, dPsi) detJ = self%detJac(Xi, dPsi) Xi = MATMUL(invJ,deltaR)/detJ @@ -864,7 +868,7 @@ MODULE moduleMesh2DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF @@ -889,7 +893,7 @@ MODULE moduleMesh2DCart dPsi=dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 8f1ee5f..adf5d4f 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -307,7 +307,7 @@ MODULE moduleMesh2DCyl !2D 1 point Gauss Quad Integral Xi = 0.D0 detJ = self%detJac(Xi)*PI8 !4*2*pi - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ @@ -328,29 +328,31 @@ MODULE moduleMesh2DCyl END SUBROUTINE areaQuad !Computes element functions in point Xi - PURE FUNCTION fPsiQuad(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsiQuad(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) - fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) - fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) - fPsi(3) = (1.D0+Xi(1)) * (1.D0+Xi(2)) - fPsi(4) = (1.D0-Xi(1)) * (1.D0+Xi(2)) + fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0+Xi(2)), & + (1.D0-Xi(1)) * (1.D0+Xi(2)) /) fPsi = fPsi*0.25D0 END FUNCTION fPsiQuad !Derivative element function at coordinates Xi - PURE FUNCTION dPsiQuad(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsiQuad(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -397,7 +399,7 @@ MODULE moduleMesh2DCyl Xi(2) = random(-1.D0, 1.D0) Xi(3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -425,8 +427,8 @@ MODULE moduleMesh2DCyl Xi(2) = corQuad(l) DO m = 1, 3 Xi(1) = corQuad(m) - fPsi = self%fPsi(Xi) - dPsi = self%dPsi(Xi) + fPsi = self%fPsi(Xi, 4) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) r = DOT_PRODUCT(fPsi,self%r) @@ -461,7 +463,7 @@ MODULE moduleMesh2DCyl DO m = 1, 3 Xi(2) = corQuad(m) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -553,10 +555,10 @@ MODULE moduleMesh2DCyl XiO = 0.D0 DO WHILE(conv > 1.D-2) - dPsi = self%dPsi(XiO) + dPsi = self%dPsi(XiO, 4) invJ = self%invJac(XiO, dPsi) detJ = self%detJac(XiO, dPsi) - fPsi = self%fPsi(XiO) + fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%z), & DOT_PRODUCT(fPsi,self%r), & 0.D0 /) @@ -651,7 +653,7 @@ MODULE moduleMesh2DCyl Xi(2) = random( 0.D0, 1.D0 - Xi(1)) Xi(3) = 0.D0 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r(1) = DOT_PRODUCT(fPsi, self%z) r(2) = DOT_PRODUCT(fPsi, self%r) @@ -675,7 +677,7 @@ MODULE moduleMesh2DCyl !2D 1 point Gauss Quad Integral Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) detJ = self%detJac(Xi)*PI !2PI*1/2 - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ @@ -685,12 +687,13 @@ MODULE moduleMesh2DCyl END SUBROUTINE areaTria !Shape functions for triangular element - PURE FUNCTION fPsiTria(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsiTria(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) fPsi(1) = 1.D0 - Xi(1) - Xi(2) fPsi(2) = Xi(1) @@ -699,12 +702,13 @@ MODULE moduleMesh2DCyl END FUNCTION fPsiTria !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTria(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsiTria(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 @@ -746,10 +750,10 @@ MODULE moduleMesh2DCyl DO l=1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi,dPsi) invJ = self%invJac(Xi,dPsi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ @@ -779,7 +783,7 @@ MODULE moduleMesh2DCyl Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wTria(l)*detJ @@ -864,7 +868,7 @@ MODULE moduleMesh2DCyl !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%z(1), r(2) - self%r(1), 0.D0 /) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) invJ = self%invJac(Xi, dPsi) detJ = self%detJac(Xi, dPsi) Xi = MATMUL(invJ,deltaR)/detJ @@ -910,7 +914,7 @@ MODULE moduleMesh2DCyl dPsi = dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF @@ -935,7 +939,7 @@ MODULE moduleMesh2DCyl dPsi=dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 9bd6468..3018989 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -270,7 +270,7 @@ MODULE moduleMesh3DCart !Assign proportional volume to each node Xi = (/0.25D0, 0.25D0, 0.25D0/) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) volNodes = fPsi*self%volume self%n1%v = self%n1%v + volNodes(1) self%n2%v = self%n2%v + volNodes(2) @@ -298,7 +298,7 @@ MODULE moduleMesh3DCart Xi(2) = random( 0.D0, 1.D0 - Xi(1)) Xi(3) = random( 0.D0, 1.D0 - Xi(1) - Xi(2)) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) r = (/ DOT_PRODUCT(fPsi, self%x), & DOT_PRODUCT(fPsi, self%y), & @@ -320,12 +320,13 @@ MODULE moduleMesh3DCart END SUBROUTINE volumeTetra !Computes element functions in point Xi - PURE FUNCTION fPsiTetra(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsiTetra(self, Xi, nNodes) RESULT(fPsi) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) fPsi(1) = 1.D0 - Xi(1) - Xi(2) - Xi(3) fPsi(2) = Xi(1) @@ -335,12 +336,13 @@ MODULE moduleMesh3DCart END FUNCTION fPsiTetra !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTetra(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsiTetra(self, Xi, nNodes) RESULT(dPsi) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3, 1:nNodes) dPsi = 0.D0 @@ -424,10 +426,10 @@ MODULE moduleMesh3DCart Xi = 0.D0 !TODO: One point Gauss integral. Upgrade when possible Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi, dPsi) invJ = self%invJac(Xi, dPsi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ END FUNCTION elemKTetra @@ -445,9 +447,9 @@ MODULE moduleMesh3DCart localF = 0.D0 Xi = 0.D0 Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) detJ = self%detJac(Xi, dPsi) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, 4) f = DOT_PRODUCT(fPsi, source) localF = f*fPsi*1.D0*detJ @@ -530,7 +532,7 @@ MODULE moduleMesh3DCart Xi = 0.D0 deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) invJ = self%invJac(Xi, dPsi) detJ = self%detJac(Xi, dPsi) Xi = MATMUL(invJ, deltaR)/detJ @@ -579,7 +581,7 @@ MODULE moduleMesh3DCart dPsi = dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF @@ -604,7 +606,7 @@ MODULE moduleMesh3DCart dPsi=dPsi_in ELSE - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, 4) END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index d0a03f4..aeba4ba 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -215,19 +215,21 @@ MODULE moduleMesh END FUNCTION getNodesVol_interface - PURE FUNCTION fPsi_interface(self, Xi) RESULT(fPsi) + PURE FUNCTION fPsi_interface(self, Xi, nNodes) RESULT(fPsi) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(self, Xi) RESULT(dPsi) + PURE FUNCTION dPsi_interface(self, Xi, nNodes) RESULT(dPsi) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3, 1:nNodes) END FUNCTION dPsi_interface @@ -530,7 +532,7 @@ MODULE moduleMesh REAL(8):: f REAL(8):: fPsi(1:self%nNodes) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, self%nNodes) f = DOT_PRODUCT(fPsi, valNodes) END FUNCTION gatherF_scalar @@ -546,7 +548,7 @@ MODULE moduleMesh REAL(8):: f(1:n) REAL(8):: fPsi(1:self%nNodes) - fPsi = self%fPsi(Xi) + fPsi = self%fPsi(Xi, self%nNodes) f = MATMUL(fPsi, valNodes) END FUNCTION gatherF_array @@ -563,7 +565,7 @@ MODULE moduleMesh REAL(8):: dPsiR(1:3, 1:self%nNodes) REAL(8):: invJ(1:3, 1:3), detJ - dPsi = self%dPsi(Xi) + dPsi = self%dPsi(Xi, self%nNodes) detJ = self%detJac(Xi, dPsi) invJ = self%invJac(Xi, dPsi) dPsiR = MATMUL(invJ, dPsi)/detJ @@ -590,7 +592,7 @@ MODULE moduleMesh CLASS(meshNode), POINTER:: node cellNodes = self%getNodes() - fPsi = self%fPsi(part%Xi) + fPsi = self%fPsi(part%Xi, self%nNodes) tensorS = outerProduct(part%v, part%v) From 7f6afd6a874a0a8ceaa6bf0c9417ccee64fcc797 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 5 Jan 2023 22:43:51 +0100 Subject: [PATCH 075/203] Mark_1 First thing that I am kinda happy with. Still some things to improve but at least push is good. --- src/modules/init/moduleInput.f90 | 2 +- src/modules/mesh/0D/moduleMesh0D.f90 | 31 +++-- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 64 +++++----- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 68 +++++----- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 115 +++++++++-------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 118 ++++++++++-------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 74 ++++++----- src/modules/mesh/moduleMesh.f90 | 102 ++++++++------- src/modules/mesh/moduleMeshBoundary.f90 | 4 +- .../solver/electromagnetic/moduleEM.f90 | 12 +- src/modules/solver/moduleSolver.f90 | 4 +- 11 files changed, 336 insertions(+), 258 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 1a439cc..0f409fb 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -359,8 +359,8 @@ MODULE moduleInput DO e = 1, mesh%numCells !Scale variables !Density at centroid of cell - nodes = mesh%cells(e)%obj%getNodes() nNodes = mesh%cells(e)%obj%nNodes + nodes = mesh%cells(e)%obj%getNodes(nNodes) ALLOCATE(fPsi(1:nNodes)) fPsi = mesh%cells(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/), nNodes) ALLOCATE(source(1:nNodes)) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 65b13a3..5f89f20 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -89,11 +89,12 @@ MODULE moduleMesh0D END SUBROUTINE initCell0D - PURE FUNCTION getNodes0D(self) RESULT(n) + PURE FUNCTION getNodes0D(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = self%n1%n @@ -133,46 +134,50 @@ MODULE moduleMesh0D END FUNCTION dPsi0D - PURE FUNCTION detJ0D(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ0D(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: dJ dJ = 0.D0 END FUNCTION detJ0D - PURE FUNCTION invJ0D(self, Xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ0D(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: invJ(1:3,1:3) invJ = 0.D0 END FUNCTION invJ0D - PURE FUNCTION elemK0D(self) RESULT(localK) + PURE FUNCTION elemK0D(self, nNodes) RESULT(localK) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) localK = 0.D0 END FUNCTION elemK0D - PURE FUNCTION elemF0D(self, source) RESULT(localF) + PURE FUNCTION elemF0D(self, nNodes, source) RESULT(localF) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) localF = 0.D0 @@ -187,7 +192,7 @@ MODULE moduleMesh0D phi = (/ self%n1%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 1, phi) END FUNCTION gatherEF0D @@ -204,7 +209,7 @@ MODULE moduleMesh0D B(:,3) = (/ self%n1%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 1, B) END FUNCTION gatherMF0D diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 982c703..56d1b65 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -41,10 +41,11 @@ MODULE moduleMesh1DCart END TYPE meshCell1DCart ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, dPsi, dx) + PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx) IMPORT meshCell1DCart CLASS(meshCell1DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx END SUBROUTINE partialDer_interface @@ -129,6 +130,7 @@ MODULE moduleMesh1DCart INTEGER:: s self%n = n + self%nNodes = SIZE(p) self%n1 => mesh%nodes(p(1))%obj !Get element coordinates r1 = self%n1%getCoordinates() @@ -152,13 +154,13 @@ MODULE moduleMesh1DCart END SUBROUTINE initEdge1DCart !Get nodes from edge - PURE FUNCTION getNodes1DCart(self) RESULT(n) + PURE FUNCTION getNodes1DCart(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshEdge1DCart), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - ALLOCATE(n(1)) n = (/ self%n1%n /) END FUNCTION getNodes1DCart @@ -250,7 +252,7 @@ MODULE moduleMesh1DCart !1 point Gauss integral Xi = 0.D0 fPsi = self%fPsi(Xi, 2) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 2) l = 2.D0*detJ self%volume = l self%arNodes = fPsi*l @@ -290,11 +292,12 @@ MODULE moduleMesh1DCart END FUNCTION dPsiSegm !Computes partial derivatives of coordinates - PURE SUBROUTINE partialDerSegm(self, dPsi, dx) + PURE SUBROUTINE partialDerSegm(self, nNodes, dPsi, dx) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) @@ -302,11 +305,12 @@ MODULE moduleMesh1DCart END SUBROUTINE partialDerSegm !Computes local stiffness matrix - PURE FUNCTION elemKSegm(self) RESULT(localK) + PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: dPsi(1:3, 1:2) REAL(8):: invJ(1:3,1:3), detJ @@ -317,8 +321,8 @@ MODULE moduleMesh1DCart DO l = 1, 3 Xi(1) = corSeg(l) dPsi = self%dPsi(Xi, 2) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, 2, dPsi) + invJ = self%invJac(Xi, 2, dPsi) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & wSeg(l)/detJ @@ -327,12 +331,13 @@ MODULE moduleMesh1DCart END FUNCTION elemKSegm - PURE FUNCTION elemFSegm(self, source) RESULT(localF) + PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: fPsi(1:2) REAL(8):: detJ, f REAL(8):: Xi(1:3) @@ -343,7 +348,7 @@ MODULE moduleMesh1DCart DO l = 1, 3 Xi(1) = corSeg(l) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 2) fPsi = self%fPsi(Xi, 2) f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wSeg(l)*detJ @@ -362,7 +367,7 @@ MODULE moduleMesh1DCart phi = (/ self%n1%emData%phi, & self%n2%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 2, phi) END FUNCTION gatherEFSegm @@ -382,7 +387,7 @@ MODULE moduleMesh1DCart B(:,3) = (/ self%n1%emData%B(3), & self%n2%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 2, B) END FUNCTION gatherMFSegm @@ -398,11 +403,12 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm !Get nodes from 1D volume - PURE FUNCTION getNodesSegm(self) RESULT(n) + PURE FUNCTION getNodesSegm(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/ self%n1%n, self%n2%n /) @@ -442,13 +448,14 @@ MODULE moduleMesh1DCart !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS !Calculates a random position in 1D volume !Computes the element Jacobian determinant - PURE FUNCTION detJ1DCart(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ1DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell1DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dJ REAL(8):: dx(1) @@ -460,20 +467,21 @@ MODULE moduleMesh1DCart END IF - CALL self%partialDer(dPsi, dx) + CALL self%partialDer(2, dPsi, dx) dJ = dx(1) END FUNCTION detJ1DCart !Computes the invers Jacobian - PURE FUNCTION invJ1DCart(self, Xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ1DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell1DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dx(1) IF (PRESENT(dPsi_in)) THEN @@ -486,7 +494,7 @@ MODULE moduleMesh1DCart invJ = 0.D0 - CALL self%partialDer(dPsi, dx) + CALL self%partialDer(2, dPsi, dx) invJ(1,1) = 1.D0/dx(1) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 1ce7836..8b441be 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -41,11 +41,12 @@ MODULE moduleMesh1DRad END TYPE meshCell1DRad ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, dPsi, dx) + PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx) IMPORT meshCell1DRad CLASS(meshCell1DRad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx END SUBROUTINE partialDer_interface @@ -130,6 +131,7 @@ MODULE moduleMesh1DRad INTEGER:: s self%n = n + self%nNodes = SIZE(p) self%n1 => mesh%nodes(p(1))%obj !Get element coordinates r1 = self%n1%getCoordinates() @@ -154,13 +156,13 @@ MODULE moduleMesh1DRad END SUBROUTINE initEdge1DRad !Get nodes from edge - PURE FUNCTION getNodes1DRad(self) RESULT(n) + PURE FUNCTION getNodes1DRad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshEdge1DRad), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - ALLOCATE(n(1)) n = (/ self%n1%n /) END FUNCTION getNodes1DRad @@ -253,17 +255,17 @@ MODULE moduleMesh1DRad !1 point Gauss integral Xi = 0.D0 fPsi = self%fPsi(Xi, 2) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 2) !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) l = 2.D0*detJ self%volume = r*l !Computes volume per node Xi = (/-5.D-1, 0.D0, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 2, self%r) self%arNodes(1) = fPsi(1)*r*l Xi = (/ 5.D-1, 0.D0, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 2, self%r) self%arNodes(2) = fPsi(2)*r*l END SUBROUTINE areaRad @@ -301,11 +303,12 @@ MODULE moduleMesh1DRad END FUNCTION dPsiRad !Computes partial derivatives of coordinates - PURE SUBROUTINE partialDerRad(self, dPsi, dx) + PURE SUBROUTINE partialDerRad(self, nNodes, dPsi, dx) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1):: dx dx(1) = DOT_PRODUCT(dPsi(1,:), self%r) @@ -313,12 +316,13 @@ MODULE moduleMesh1DRad END SUBROUTINE partialDerRad !Computes local stiffness matrix - PURE FUNCTION elemKRad(self) RESULT(localK) + PURE FUNCTION elemKRad(self, nNodes) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: dPsi(1:3, 1:2) REAL(8):: invJ(1:3,1:3), detJ @@ -330,8 +334,8 @@ MODULE moduleMesh1DRad DO l = 1, 3 Xi(1) = corSeg(l) dPsi = self%dPsi(Xi, 2) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, 2, dPsi) + invJ = self%invJac(Xi, 2, dPsi) fPsi = self%fPsi(Xi, 2) r = DOT_PRODUCT(fPsi, self%r) localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & @@ -344,13 +348,14 @@ MODULE moduleMesh1DRad END FUNCTION elemKRad - PURE FUNCTION elemFRad(self, source) RESULT(localF) + PURE FUNCTION elemFRad(self, nNodes, source) RESULT(localF) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: fPsi(1:2) REAL(8):: detJ, f, r REAL(8):: Xi(1:3) @@ -361,7 +366,7 @@ MODULE moduleMesh1DRad DO l = 1, 3 Xi(1) = corSeg(l) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 2) fPsi = self%fPsi(Xi, 2) r = DOT_PRODUCT(fPsi, self%r) f = DOT_PRODUCT(fPsi, source) @@ -381,7 +386,7 @@ MODULE moduleMesh1DRad phi = (/ self%n1%emData%phi, & self%n2%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 2, phi) END FUNCTION gatherEFRad @@ -401,7 +406,7 @@ MODULE moduleMesh1DRad B(:,3) = (/ self%n1%emData%B(3), & self%n2%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 2, B) END FUNCTION gatherMFRad @@ -417,11 +422,12 @@ MODULE moduleMesh1DRad END FUNCTION insideRad !Get nodes from 1D volume - PURE FUNCTION getNodesRad(self) RESULT(n) + PURE FUNCTION getNodesRad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/ self%n1%n, self%n2%n /) @@ -460,13 +466,14 @@ MODULE moduleMesh1DRad !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS !Computes the element Jacobian determinant - PURE FUNCTION detJ1DRad(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ1DRad(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell1DRad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dJ REAL(8):: dx(1) @@ -478,19 +485,20 @@ MODULE moduleMesh1DRad END IF - CALL self%partialDer(dPsi, dx) + CALL self%partialDer(nNodes, dPsi, dx) dJ = dx(1) END FUNCTION detJ1DRad !Computes the invers Jacobian - PURE FUNCTION invJ1DRad(self, Xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ1DRad(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell1DRad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) - REAL(8):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dx(1) REAL(8):: invJ(1:3,1:3) @@ -504,7 +512,7 @@ MODULE moduleMesh1DRad invJ = 0.D0 - CALL self%partialDer(dPsi, dx) + CALL self%partialDer(nNodes, dPsi, dx) invJ(1,1) = 1.D0/dx(1) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 649b8fb..2ccde7d 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -46,10 +46,11 @@ MODULE moduleMesh2DCart END TYPE meshCell2DCart ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy) + PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx, dy) IMPORT meshCell2DCart CLASS(meshCell2DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy END SUBROUTINE partialDer_interface @@ -166,6 +167,7 @@ MODULE moduleMesh2DCart INTEGER:: s self%n = n + self%nNodes = SIZE(p) self%n1 => mesh%nodes(p(1))%obj self%n2 => mesh%nodes(p(2))%obj !Get element coordinates @@ -194,13 +196,13 @@ MODULE moduleMesh2DCart END SUBROUTINE initEdge2DCart !Get nodes from edge - PURE FUNCTION getNodes2DCart(self) RESULT(n) + PURE FUNCTION getNodes2DCart(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshEdge2DCart), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - ALLOCATE(n(1:2)) n = (/self%n1%n, self%n2%n /) END FUNCTION getNodes2DCart @@ -255,8 +257,13 @@ MODULE moduleMesh2DCart TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 + !Assign node index self%n = n + + !Assign number of nodes of cell self%nNodes = SIZE(p) + + !Assign nodes to element self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -296,7 +303,7 @@ MODULE moduleMesh2DCart self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = 0.D0 - detJ = self%detJac(Xi)*4.D0 !4 + detJ = self%detJac(Xi, 4)*4.D0 !4 fPsi = self%fPsi(Xi, 4) self%volume = detJ self%arNodes = fPsi*detJ @@ -347,11 +354,12 @@ MODULE moduleMesh2DCart END FUNCTION dPsiQuad !Partial derivative in global coordinates - PURE SUBROUTINE partialDerQuad(self, dPsi, dx, dy) + PURE SUBROUTINE partialDerQuad(self, nNodes, dPsi, dx, dy) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy dx = (/ DOT_PRODUCT(dPsi(1,1:4),self%x(1:4)), & @@ -384,11 +392,12 @@ MODULE moduleMesh2DCart END FUNCTION randPosCellQuad !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self) RESULT(localK) + PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3,1:4) REAL(8):: invJ(1:3,1:3), detJ @@ -403,8 +412,8 @@ MODULE moduleMesh2DCart Xi(1) = corQuad(m) fPsi = self%fPsi(Xi, 4) dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) + detJ = self%detJac(Xi, 4, dPsi) + invJ = self%invJac(Xi, 4, dPsi) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & MATMUL(invJ,dPsi))* & wQuad(l)*wQuad(m)/detJ @@ -415,12 +424,13 @@ MODULE moduleMesh2DCart END FUNCTION elemKQuad !Computes the local source vector for a force f - PURE FUNCTION elemFQuad(self, source) RESULT(localF) + PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: detJ, f @@ -432,7 +442,7 @@ MODULE moduleMesh2DCart Xi(1) = corQuad(l) DO m = 1, 3 Xi(2) = corQuad(m) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 4) fPsi = self%fPsi(Xi, 4) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -454,7 +464,7 @@ MODULE moduleMesh2DCart self%n3%emData%phi, & self%n4%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 4, phi) END FUNCTION gatherEFQuad @@ -480,7 +490,7 @@ MODULE moduleMesh2DCart self%n3%emData%B(3), & self%n4%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 4, B) END FUNCTION gatherMFQuad @@ -497,11 +507,12 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad !Gets nodes from quadrilateral element - PURE FUNCTION getNodesQuad(self) RESULT(n) + PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) @@ -524,7 +535,7 @@ MODULE moduleMesh2DCart DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO, 4) - invJ = self%invJac(XiO, dPsi) + invJ = self%invJac(XiO, 4, dPsi) fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%x), & DOT_PRODUCT(fPsi,self%y), & @@ -641,7 +652,7 @@ MODULE moduleMesh2DCart self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(Xi)/2.D0 + detJ = self%detJac(Xi, 4)/2.D0 fPsi = self%fPsi(Xi, 4) self%volume = detJ self%arNodes = fPsi*detJ @@ -679,11 +690,12 @@ MODULE moduleMesh2DCart END FUNCTION dPsiTria - PURE SUBROUTINE partialDerTria(self, dPsi, dx, dy) + PURE SUBROUTINE partialDerTria(self, nNodes, dPsi, dx, dy) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy dx = (/ DOT_PRODUCT(dPsi(1,:),self%x), & @@ -694,11 +706,12 @@ MODULE moduleMesh2DCart END SUBROUTINE partialDerTria !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self) RESULT(localK) + PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:3), dPsi(1:3,1:3) REAL(8):: invJ(1:3,1:3), detJ @@ -710,10 +723,10 @@ MODULE moduleMesh2DCart DO l=1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) - fPsi = self%fPsi(Xi, 4) + dPsi = self%dPsi(Xi, 3) + detJ = self%detJac(Xi, 3, dPsi) + invJ = self%invJac(Xi, 3, dPsi) + fPsi = self%fPsi(Xi, 3) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO @@ -721,12 +734,13 @@ MODULE moduleMesh2DCart END FUNCTION elemKTria !Computes element local source vector - PURE FUNCTION elemFTria(self, source) RESULT(localF) + PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: fPsi(1:3) REAL(8):: Xi(1:3) REAL(8):: detJ, f @@ -738,8 +752,8 @@ MODULE moduleMesh2DCart DO l=1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) - detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi, 4) + detJ = self%detJac(Xi, 3) + fPsi = self%fPsi(Xi, 3) f = DOT_PRODUCT(fPsi,source) localF = localF + f*fPsi*wTria(l)*detJ @@ -758,7 +772,7 @@ MODULE moduleMesh2DCart self%n2%emData%phi, & self%n3%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 3, phi) END FUNCTION gatherEFTria @@ -798,11 +812,12 @@ MODULE moduleMesh2DCart END FUNCTION insideTria !Gets node indexes from triangular element - PURE FUNCTION getNodesTria(self) RESULT(n) + PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/self%n1%n, self%n2%n, self%n3%n /) @@ -822,9 +837,9 @@ MODULE moduleMesh2DCart !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) - dPsi = self%dPsi(Xi, 4) - invJ = self%invJac(Xi, dPsi) - detJ = self%detJac(Xi, dPsi) + dPsi = self%dPsi(Xi, 3) + invJ = self%invJac(Xi, 3, dPsi) + detJ = self%detJac(Xi, 3, dPsi) Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria @@ -854,14 +869,15 @@ MODULE moduleMesh2DCart !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 2D !Computes element Jacobian determinant - PURE FUNCTION detJ2DCart(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: dJ - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dx(1:2), dy(1:2) IF(PRESENT(dPsi_in)) THEN @@ -872,21 +888,22 @@ MODULE moduleMesh2DCart END IF - CALL self%partialDer(dPsi, dx, dy) + CALL self%partialDer(nNodes, dPsi, dx, dy) dJ = dx(1)*dy(2)-dx(2)*dy(1) END FUNCTION detJ2DCart !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCart(self,Xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell2DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dx(1:2), dy(1:2) IF(PRESENT(dPsi_in)) THEN @@ -899,7 +916,7 @@ MODULE moduleMesh2DCart invJ = 0.D0 - CALL self%partialDer(dPsi, dx, dy) + CALL self%partialDer(nNodes, dPsi, dx, dy) invJ(1,1:2) = (/ dy(2), -dx(2) /) invJ(2,1:2) = (/ -dy(1), dx(1) /) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index adf5d4f..d33fbbf 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -46,10 +46,11 @@ MODULE moduleMesh2DCyl END TYPE meshCell2DCyl ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, dPsi, dz, dr) + PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dz, dr) IMPORT meshCell2DCyl CLASS(meshCell2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr END SUBROUTINE partialDer_interface @@ -166,6 +167,7 @@ MODULE moduleMesh2DCyl INTEGER:: s self%n = n + self%nNodes = SIZE(p) self%n1 => mesh%nodes(p(1))%obj self%n2 => mesh%nodes(p(2))%obj !Get element coordinates @@ -195,13 +197,13 @@ MODULE moduleMesh2DCyl END SUBROUTINE initEdge2DCyl !Get nodes from edge - PURE FUNCTION getNodes2DCyl(self) RESULT(n) + PURE FUNCTION getNodes2DCyl(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshEdge2DCyl), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - ALLOCATE(n(1:2)) n = (/self%n1%n, self%n2%n /) END FUNCTION getNodes2DCyl @@ -306,23 +308,23 @@ MODULE moduleMesh2DCyl self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = 0.D0 - detJ = self%detJac(Xi)*PI8 !4*2*pi + detJ = self%detJac(Xi, 4)*PI8 !4*2*pi fPsi = self%fPsi(Xi, 4) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) self%volume = r*detJ !Computes volume per node Xi = (/-5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 4, self%r) self%arNodes(1) = fPsi(1)*r*detJ Xi = (/ 5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 4, self%r) self%arNodes(2) = fPsi(2)*r*detJ Xi = (/ 5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 4, self%r) self%arNodes(3) = fPsi(3)*r*detJ Xi = (/-5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, self%r) + r = self%gatherF(Xi, 4, self%r) self%arNodes(4) = fPsi(4)*r*detJ END SUBROUTINE areaQuad @@ -371,11 +373,12 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiQuad !Partial derivative in global coordinates - PURE SUBROUTINE partialDerQuad(self, dPsi, dz, dr) + PURE SUBROUTINE partialDerQuad(self, nNodes, dPsi, dz, dr) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr dz = (/ DOT_PRODUCT(dPsi(1,1:4),self%z(1:4)), & @@ -408,12 +411,13 @@ MODULE moduleMesh2DCyl END FUNCTION randPosCellQuad !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self) RESULT(localK) + PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3,1:4) REAL(8):: r @@ -429,8 +433,8 @@ MODULE moduleMesh2DCyl Xi(1) = corQuad(m) fPsi = self%fPsi(Xi, 4) dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) + detJ = self%detJac(Xi, 4, dPsi) + invJ = self%invJac(Xi, 4, dPsi) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & MATMUL(invJ,dPsi))* & @@ -443,13 +447,14 @@ MODULE moduleMesh2DCyl END FUNCTION elemKQuad !Computes the local source vector for a force f - PURE FUNCTION elemFQuad(self, source) RESULT(localF) + PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) REAL(8):: r @@ -462,7 +467,7 @@ MODULE moduleMesh2DCyl Xi(1) = corQuad(l) DO m = 1, 3 Xi(2) = corQuad(m) - detJ = self%detJac(Xi) + detJ = self%detJac(Xi, 4) fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) @@ -486,7 +491,7 @@ MODULE moduleMesh2DCyl self%n3%emData%phi, & self%n4%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 4, phi) END FUNCTION gatherEFQuad @@ -512,7 +517,7 @@ MODULE moduleMesh2DCyl self%n3%emData%B(3), & self%n4%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 4, B) END FUNCTION gatherMFQuad @@ -529,11 +534,12 @@ MODULE moduleMesh2DCyl END FUNCTION insideQuad !Gets nodes from quadrilateral element - PURE FUNCTION getNodesQuad(self) RESULT(n) + PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) @@ -556,8 +562,8 @@ MODULE moduleMesh2DCyl DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO, 4) - invJ = self%invJac(XiO, dPsi) - detJ = self%detJac(XiO, dPsi) + invJ = self%invJac(XiO, 4, dPsi) + detJ = self%detJac(XiO, 4, dPsi) fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%z), & DOT_PRODUCT(fPsi,self%r), & @@ -676,7 +682,7 @@ MODULE moduleMesh2DCyl self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(Xi)*PI !2PI*1/2 + detJ = self%detJac(Xi, 3)*PI !2PI*1/2 fPsi = self%fPsi(Xi, 4) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) @@ -717,11 +723,12 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiTria - PURE SUBROUTINE partialDerTria(self, dPsi, dz, dr) + PURE SUBROUTINE partialDerTria(self, nNodes, dPsi, dz, dr) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr dz = (/ DOT_PRODUCT(dPsi(1,:),self%z), & @@ -732,12 +739,13 @@ MODULE moduleMesh2DCyl END SUBROUTINE partialDerTria !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self) RESULT(localK) + PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: r REAL(8):: fPsi(1:3), dPsi(1:3,1:3) @@ -751,8 +759,8 @@ MODULE moduleMesh2DCyl Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi,dPsi) - invJ = self%invJac(Xi,dPsi) + detJ = self%detJac(Xi, 3, dPsi) + invJ = self%invJac(Xi, 3, dPsi) fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ @@ -763,13 +771,14 @@ MODULE moduleMesh2DCyl END FUNCTION elemKTria !Computes element local source vector - PURE FUNCTION elemFTria(self, source) RESULT(localF) + PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: fPsi(1:3) REAL(8):: Xi(1:3) REAL(8):: r @@ -782,8 +791,8 @@ MODULE moduleMesh2DCyl DO l=1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) - detJ = self%detJac(Xi) - fPsi = self%fPsi(Xi, 4) + detJ = self%detJac(Xi, 3) + fPsi = self%fPsi(Xi, 3) r = DOT_PRODUCT(fPsi,self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wTria(l)*detJ @@ -804,7 +813,7 @@ MODULE moduleMesh2DCyl self%n2%emData%phi, & self%n3%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 4, phi) END FUNCTION gatherEFTria @@ -844,11 +853,12 @@ MODULE moduleMesh2DCyl END FUNCTION insideTria !Gets node indexes from triangular element - PURE FUNCTION getNodesTria(self) RESULT(n) + PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/self%n1%n, self%n2%n, self%n3%n /) @@ -868,9 +878,9 @@ MODULE moduleMesh2DCyl !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%z(1), r(2) - self%r(1), 0.D0 /) - dPsi = self%dPsi(Xi, 4) - invJ = self%invJac(Xi, dPsi) - detJ = self%detJac(Xi, dPsi) + dPsi = self%dPsi(Xi, 3) + invJ = self%invJac(Xi, 3, dPsi) + detJ = self%detJac(Xi, 3, dPsi) Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria @@ -900,39 +910,41 @@ MODULE moduleMesh2DCyl !COMMON FUNCTIONS FOR CYLINDRICAL VOLUME ELEMENTS !Computes element Jacobian determinant - PURE FUNCTION detJ2DCyl(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCyl(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell2DCyl), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: dJ - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dz(1:2), dr(1:2) IF(PRESENT(dPsi_in)) THEN dPsi = dPsi_in ELSE - dPsi = self%dPsi(Xi, 4) + dPsi = self%dPsi(Xi, nNodes) END IF - CALL self%partialDer(dPsi, dz, dr) + CALL self%partialDer(nNodes, dPsi, dz, dr) dJ = dz(1)*dr(2)-dz(2)*dr(1) END FUNCTION detJ2DCyl !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCyl(self,Xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCyl(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell2DCyl), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:self%nNodes) + REAL(8):: dPsi(1:3,1:nNodes) REAL(8):: dz(1:2), dr(1:2) IF(PRESENT(dPsi_in)) THEN @@ -945,7 +957,7 @@ MODULE moduleMesh2DCyl invJ = 0.D0 - CALL self%partialDer(dPsi, dz, dr) + CALL self%partialDer(nNodes, dPsi, dz, dr) invJ(1,1:2) = (/ dr(2), -dz(2) /) invJ(2,1:2) = (/ -dr(1), dz(1) /) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 3018989..705587a 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -40,10 +40,11 @@ MODULE moduleMesh3DCart END TYPE meshCell3DCart ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, dPsi, dx, dy, dz) + PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx, dy, dz) IMPORT meshCell3DCart CLASS(meshCell3DCart), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz END SUBROUTINE partialDer_interface @@ -59,7 +60,7 @@ MODULE moduleMesh3DCart !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() CONTAINS - PROCEDURE, PASS:: init => initCellTetra3DCart + PROCEDURE, PASS:: init => initCellTetra PROCEDURE, PASS:: randPos => randPosCellTetra PROCEDURE, PASS:: calcCell => volumeTetra PROCEDURE, PASS:: fPsi => fPsiTetra @@ -135,6 +136,7 @@ MODULE moduleMesh3DCart INTEGER:: s self%n = n + self%nNodes = SIZE(p) self%n1 => mesh%nodes(p(1))%obj self%n2 => mesh%nodes(p(2))%obj self%n3 => mesh%nodes(p(3))%obj @@ -170,13 +172,13 @@ MODULE moduleMesh3DCart END SUBROUTINE initEdge3DCartTria !Get nodes from surface - PURE FUNCTION getNodes3DCartTria(self) RESULT(n) + PURE FUNCTION getNodes3DCartTria(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshEdge3DCartTria), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - ALLOCATE(n(1:3)) n = (/self%n1%n, self%n2%n, self%n3%n/) END FUNCTION getNodes3DCartTria @@ -238,7 +240,7 @@ MODULE moduleMesh3DCart !VOLUME FUNCTIONS !TETRA FUNCTIONS !Inits tetrahedron element - SUBROUTINE initCellTetra3DCart(self, n, p, nodes) + SUBROUTINE initCellTetra(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -282,7 +284,7 @@ MODULE moduleMesh3DCart ALLOCATE(self%listPart_in(1:nSpecies)) ALLOCATE(self%totalWeight(1:nSpecies)) - END SUBROUTINE initCellTetra3DCart + END SUBROUTINE initCellTetra !Random position in volume tetrahedron FUNCTION randPosCellTetra(self) RESULT(r) @@ -315,7 +317,7 @@ MODULE moduleMesh3DCart self%volume = 0.D0 Xi = (/0.25D0, 0.25D0, 0.25D0/) - self%volume = self%detJac(Xi) + self%volume = self%detJac(Xi, 4) END SUBROUTINE volumeTetra @@ -392,11 +394,12 @@ MODULE moduleMesh3DCart END FUNCTION dPsiTetraXi3 !Computes the derivatives in global coordinates - PURE SUBROUTINE partialDerTetra(self, dPsi, dx, dy, dz) + PURE SUBROUTINE partialDerTetra(self, nNodes, dPsi, dx, dy, dz) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: dPsi(1:3, 1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: dPsi(1:3, 1:nNodes) REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) @@ -413,11 +416,12 @@ MODULE moduleMesh3DCart END SUBROUTINE partialDerTetra - PURE FUNCTION elemKTetra(self) RESULT(localK) + PURE FUNCTION elemKTetra(self, nNodes) RESULT(localK) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) REAL(8):: invJ(1:3,1:3), detJ @@ -427,19 +431,20 @@ MODULE moduleMesh3DCart !TODO: One point Gauss integral. Upgrade when possible Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) + detJ = self%detJac(Xi, 4, dPsi) + invJ = self%invJac(Xi, 4, dPsi) fPsi = self%fPsi(Xi, 4) localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ END FUNCTION elemKTetra - PURE FUNCTION elemFTetra(self, source) RESULT(localF) + PURE FUNCTION elemFTetra(self, nNodes, source) RESULT(localF) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) REAL(8):: Xi(1:3) REAL(8):: detJ, f @@ -448,7 +453,7 @@ MODULE moduleMesh3DCart Xi = 0.D0 Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, dPsi) + detJ = self%detJac(Xi, 4, dPsi) fPsi = self%fPsi(Xi, 4) f = DOT_PRODUCT(fPsi, source) localF = f*fPsi*1.D0*detJ @@ -467,7 +472,7 @@ MODULE moduleMesh3DCart self%n3%emData%phi, & self%n4%emData%phi /) - array = -self%gatherDF(Xi, phi) + array = -self%gatherDF(Xi, 4, phi) END FUNCTION gatherEFTetra @@ -493,7 +498,7 @@ MODULE moduleMesh3DCart self%n3%emData%B(3), & self%n4%emData%B(3) /) - array = self%gatherF(Xi, 3, B) + array = self%gatherF(Xi, 4, B) END FUNCTION gatherMFTetra @@ -510,11 +515,12 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra - PURE FUNCTION getNodesTetra(self) RESULT(n) + PURE FUNCTION getNodesTetra(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self - INTEGER:: n(1:self%nnodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) @@ -533,8 +539,8 @@ MODULE moduleMesh3DCart Xi = 0.D0 deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) dPsi = self%dPsi(Xi, 4) - invJ = self%invJac(Xi, dPsi) - detJ = self%detJac(Xi, dPsi) + invJ = self%invJac(Xi, 4, dPsi) + detJ = self%detJac(Xi, 4, dPsi) Xi = MATMUL(invJ, deltaR)/detJ END FUNCTION phy2logTetra @@ -567,14 +573,15 @@ MODULE moduleMesh3DCart !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 3D !Computes element Jacobian determinant - PURE FUNCTION detJ3DCart(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ3DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPLICIT NONE CLASS(meshCell3DCart), INTENT(in)::self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:nNodes) REAL(8):: dJ - REAL(8):: dPsi(1:3, 1:self%nNodes) + REAL(8):: dPsi(1:3, 1:nNodes) REAL(8):: dx(1:3), dy(1:3), dz(1:3) IF (PRESENT(dPsi_in)) THEN @@ -585,20 +592,21 @@ MODULE moduleMesh3DCart END IF - CALL self%partialDer(dPsi, dx, dy, dz) + CALL self%partialDer(nNodes, dPsi, dx, dy, dz) dJ = dx(1)*(dy(2)*dz(3) - dy(3)*dz(2)) & - dx(2)*(dy(1)*dz(3) - dy(3)*dz(1)) & + dx(3)*(dy(1)*dz(2) - dy(2)*dz(1)) END FUNCTION detJ3DCart - PURE FUNCTION invJ3DCart(self,Xi,dPsi_in) RESULT(invJ) + PURE FUNCTION invJ3DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPLICIT NONE CLASS(meshCell3DCart), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:self%nNodes) - REAL(8):: dPsi(1:3, 1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:nNodes) + REAL(8):: dPsi(1:3, 1:nNodes) REAL(8), DIMENSION(1:3):: dx, dy, dz REAL(8):: invJ(1:3,1:3) @@ -610,7 +618,7 @@ MODULE moduleMesh3DCart END IF - CALL self%partialDer(dPsi, dx, dy, dz) + CALL self%partialDer(nNodes, dPsi, dx, dy, dz) invJ(1,1) = (dy(2)*dz(3) - dy(3)*dz(2)) invJ(1,2) = -(dy(1)*dz(3) - dy(3)*dz(1)) invJ(1,3) = (dy(1)*dz(2) - dy(2)*dz(1)) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index aeba4ba..6561850 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -66,6 +66,8 @@ MODULE moduleMesh !Parent of Edge element TYPE, PUBLIC, ABSTRACT, EXTENDS(meshElement):: meshEdge + !Nomber of nodes in the edge + INTEGER:: nNodes !Connectivity to cells CLASS(meshCell), POINTER:: e1 => NULL(), e2 => NULL() !Connectivity to cells in meshColl @@ -102,10 +104,11 @@ MODULE moduleMesh END SUBROUTINE initEdge_interface !Get nodes index from node - PURE FUNCTION getNodesEdge_interface(self) RESULT(n) + PURE FUNCTION getNodesEdge_interface(self, nNodes) RESULT(n) IMPORT:: meshEdge CLASS(meshEdge), INTENT(in):: self - INTEGER, ALLOCATABLE:: n(:) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) END FUNCTION getNodesEdge_interface @@ -166,7 +169,7 @@ MODULE moduleMesh !Init the cell PROCEDURE(initCell_interface), DEFERRED, PASS:: init !Get the index of the nodes - PROCEDURE(getNodesVol_interface), DEFERRED, PASS:: getNodes + PROCEDURE(getNodesCell_interface), DEFERRED, PASS:: getNodes !Calculate random position on the cell PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos !Obtain functions and values of cell natural functions @@ -208,12 +211,13 @@ MODULE moduleMesh END SUBROUTINE initCell_interface - PURE FUNCTION getNodesVol_interface(self) RESULT(n) + PURE FUNCTION getNodesCell_interface(self, nNodes) RESULT(n) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self - INTEGER:: n(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) - END FUNCTION getNodesVol_interface + END FUNCTION getNodesCell_interface PURE FUNCTION fPsi_interface(self, Xi, nNodes) RESULT(fPsi) IMPORT:: meshCell @@ -233,20 +237,22 @@ MODULE moduleMesh END FUNCTION dPsi_interface - PURE FUNCTION detJac_interface(self, Xi, dPsi_in) RESULT(dJ) + PURE FUNCTION detJac_interface(self, Xi, nNodes, dPsi_in) RESULT(dJ) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: dJ END FUNCTION detJac_interface - PURE FUNCTION invJac_interface(self, Xi, dPsi_in) RESULT(invJ) + PURE FUNCTION invJac_interface(self, Xi, nNodes, dPsi_in) RESULT(invJ) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) REAL(8):: invJ(1:3,1:3) END FUNCTION invJac_interface @@ -259,18 +265,20 @@ MODULE moduleMesh END FUNCTION gatherArray_interface - PURE FUNCTION elemK_interface(self) RESULT(localK) + PURE FUNCTION elemK_interface(self, nNodes) RESULT(localK) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self - REAL(8):: localK(1:self%nNodes,1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) END FUNCTION elemK_interface - PURE FUNCTION elemF_interface(self, source) RESULT(localF) + PURE FUNCTION elemF_interface(self, nNodes, source) RESULT(localF) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self - REAL(8), INTENT(in):: source(1:self%nNodes) - REAL(8):: localF(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) END FUNCTION elemF_interface @@ -478,19 +486,22 @@ MODULE moduleMesh CONTAINS !Constructs the global K matrix - SUBROUTINE constructGlobalK(self) + PURE SUBROUTINE constructGlobalK(self) IMPLICIT NONE CLASS(meshParticles), INTENT(inout):: self INTEGER:: e + INTEGER:: nNodes INTEGER, ALLOCATABLE:: n(:) REAL(8), ALLOCATABLE:: localK(:,:) - INTEGER:: nNodes, i, j + INTEGER:: i, j DO e = 1, self%numCells - n = self%cells(e)%obj%getNodes() - localK = self%cells(e)%obj%elemK() - nNodes = SIZE(n) + nNodes = self%cells(e)%obj%nNodes + ALLOCATE(n(1:nNodes)) + ALLOCATE(localK(1:nNodes, 1:nNodes)) + n = self%cells(e)%obj%getNodes(nNodes) + localK = self%cells(e)%obj%elemK(nNodes) DO i = 1, nNodes DO j = 1, nNodes @@ -499,6 +510,8 @@ MODULE moduleMesh END DO END DO + + DEALLOCATE(n, localK) END DO @@ -523,51 +536,53 @@ MODULE moduleMesh END SUBROUTINE resetOutput !Gather the value of valNodes (scalar) at position Xi - PURE FUNCTION gatherF_scalar(self, Xi, valNodes) RESULT(f) + PURE FUNCTION gatherF_scalar(self, Xi, nNodes, valNodes) RESULT(f) IMPLICIT NONE CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in):: valNodes(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: valNodes(1:nNodes) REAL(8):: f - REAL(8):: fPsi(1:self%nNodes) + REAL(8):: fPsi(1:nNodes) - fPsi = self%fPsi(Xi, self%nNodes) + fPsi = self%fPsi(Xi, nNodes) f = DOT_PRODUCT(fPsi, valNodes) END FUNCTION gatherF_scalar !Gather the value of valNodes (array) at position Xi - PURE FUNCTION gatherF_array(self, Xi, n, valNodes) RESULT(f) + PURE FUNCTION gatherF_array(self, Xi, nNodes, valNodes) RESULT(f) IMPLICIT NONE CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: n - REAL(8), INTENT(in):: valNodes(1:self%nNodes, 1:n) - REAL(8):: f(1:n) - REAL(8):: fPsi(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: valNodes(1:nNodes, 1:3) + REAL(8):: f(1:3) + REAL(8):: fPsi(1:nNodes) - fPsi = self%fPsi(Xi, self%nNodes) + fPsi = self%fPsi(Xi, nNodes) f = MATMUL(fPsi, valNodes) END FUNCTION gatherF_array !Gather the spatial derivative of valNodes (scalar) at position Xi - PURE FUNCTION gatherDF_scalar(self, Xi, valNodes) RESULT(df) + PURE FUNCTION gatherDF_scalar(self, Xi, nNodes, valNodes) RESULT(df) IMPLICIT NONE CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - REAL(8), INTENT(in):: valNodes(1:self%nNodes) + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: valNodes(1:nNodes) REAL(8):: df(1:3) - REAL(8):: dPsi(1:3, 1:self%nNodes) - REAL(8):: dPsiR(1:3, 1:self%nNodes) + REAL(8):: dPsi(1:3, 1:nNodes) + REAL(8):: dPsiR(1:3, 1:nNodes) REAL(8):: invJ(1:3, 1:3), detJ - dPsi = self%dPsi(Xi, self%nNodes) - detJ = self%detJac(Xi, dPsi) - invJ = self%invJac(Xi, dPsi) + dPsi = self%dPsi(Xi, nNodes) + detJ = self%detJac(Xi, nNodes, dPsi) + invJ = self%invJac(Xi, nNodes, dPsi) dPsiR = MATMUL(invJ, dPsi)/detJ df = (/ DOT_PRODUCT(dPsiR(1,:), valNodes), & DOT_PRODUCT(dPsiR(2,:), valNodes), & @@ -576,29 +591,30 @@ MODULE moduleMesh END FUNCTION gatherDF_scalar !Scatters particle properties into cell nodes - SUBROUTINE scatter(self, part) + SUBROUTINE scatter(self, nNodes, part) USE moduleMath USE moduleSpecies USE OMP_LIB IMPLICIT NONE CLASS(meshCell), INTENT(inout):: self + INTEGER, INTENT(in):: nNodes CLASS(particle), INTENT(in):: part - REAL(8):: fPsi(1:self%nNodes) - INTEGER:: cellNodes(1:self%nNodes) + REAL(8):: fPsi(1:nNodes) + INTEGER:: cellNodes(1:nNodes) REAL(8):: tensorS(1:3, 1:3) INTEGER:: sp INTEGER:: i CLASS(meshNode), POINTER:: node - cellNodes = self%getNodes() - fPsi = self%fPsi(part%Xi, self%nNodes) + cellNodes = self%getNodes(nNodes) + fPsi = self%fPsi(part%Xi, nNodes) tensorS = outerProduct(part%v, part%v) sp = part%species%n - DO i = 1, self%nNodes + DO i = 1, nNodes node => mesh%nodes(cellNodes(i))%obj CALL OMP_SET_LOCK(node%lock) node%output(sp)%den = node%output(sp)%den + part%weight*fPsi(i) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index cc5d78c..713c091 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -55,10 +55,10 @@ MODULE moduleMeshBoundary !Scatter particle in associated volume IF (ASSOCIATED(edge%e1)) THEN - CALL edge%e1%scatter(part) + CALL edge%e1%scatter(edge%e1%nNodes, part) ELSE - CALL edge%e2%scatter(part) + CALL edge%e2%scatter(edge%e2%nNodes, part) END IF diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index 55eb618..bdf6b03 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -26,12 +26,14 @@ MODULE moduleEM CLASS(boundaryEM), INTENT(in):: self CLASS(meshEdge):: edge + INTEGER:: nNodes INTEGER, ALLOCATABLE:: nodes(:) INTEGER:: n - nodes = edge%getNodes() + nNodes = edge%nNodes + nodes = edge%getNodes(nNodes) - DO n = 1, SIZE(nodes) + DO n = 1, nNodes SELECT CASE(self%typeEM) CASE ("dirichlet") mesh%K(nodes(n), :) = 0.D0 @@ -66,8 +68,8 @@ MODULE moduleEM !$OMP DO REDUCTION(+:vectorF) DO e = 1, mesh%numCells - nodes = mesh%cells(e)%obj%getNodes() - nNodes = SIZE(nodes) + nNodes = mesh%cells(e)%obj%nNodes + nodes = mesh%cells(e)%obj%getNodes(nNodes) !Calculates charge density (rho) in element nodes ALLOCATE(rho(1:nNodes)) rho = 0.D0 @@ -79,7 +81,7 @@ MODULE moduleEM END DO !Calculates local F vector - localF = mesh%cells(e)%obj%elemF(rho) + localF = mesh%cells(e)%obj%elemF(nNodes, rho) !Assign local F to global F DO i = 1, nNodes diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 6962075..02932c9 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -354,11 +354,13 @@ MODULE moduleSolver IMPLICIT NONE INTEGER:: n + CLASS(meshCell), POINTER:: cell !Loops over the particles to scatter them !$OMP DO DO n = 1, nPartOld - CALL mesh%cells(partOld(n)%vol)%obj%scatter(partOld(n)) + cell => mesh%cells(partOld(n)%vol)%obj + CALL cell%scatter(cell%nNodes, partOld(n)) END DO !$OMP END DO From ba272de4e3c711e0a13706283ebcf1c6ae96a464 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 6 Jan 2023 12:16:54 +0100 Subject: [PATCH 076/203] DOES NOT COMPILE: Break Small break of changing functions. Still some geometries to change. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 747 +++++++++---------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 370 ++++----- src/modules/mesh/moduleMesh.f90 | 152 ++-- 3 files changed, 589 insertions(+), 680 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index d33fbbf..1e8c79d 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -19,7 +19,8 @@ MODULE moduleMesh2DCyl !Element coordinates REAL(8):: r = 0.D0, z = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initNode2DCyl + !meshNode DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initNode2DCyl PROCEDURE, PASS:: getCoordinates => getCoord2DCyl END TYPE meshNode2DCyl @@ -30,35 +31,16 @@ MODULE moduleMesh2DCyl !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() CONTAINS - PROCEDURE, PASS:: init => initEdge2DCyl - PROCEDURE, PASS:: getNodes => getNodes2DCyl + !meshEdge DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initEdge2DCyl + PROCEDURE, PASS:: getNodes => getNodes2DCyl PROCEDURE, PASS:: intersection => intersection2DCylEdge - PROCEDURE, PASS:: randPos => randPosEdge + PROCEDURE, PASS:: randPos => randPosEdge END TYPE meshEdge2DCyl - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell2DCyl - CONTAINS - PROCEDURE, PASS:: detJac => detJ2DCyl - PROCEDURE, PASS:: invJac => invJ2DCyl - PROCEDURE(partialDer_interface), DEFERRED, PASS, PRIVATE:: partialDer - - END TYPE meshCell2DCyl - - ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dz, dr) - IMPORT meshCell2DCyl - CLASS(meshCell2DCyl), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr - - END SUBROUTINE partialDer_interface - - END INTERFACE - !Quadrilateral volume element - TYPE, PUBLIC, EXTENDS(meshCell2DCyl):: meshCell2DCylQuad + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell2DCylQuad !Element coordinates REAL(8):: r(1:4) = 0.D0, z(1:4) = 0.D0 !Connectivity to nodes @@ -68,25 +50,29 @@ MODULE moduleMesh2DCyl REAL(8):: arNodes(1:4) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initCellQuad2DCyl - PROCEDURE, PASS:: randPos => randPosCellQuad - PROCEDURE, PASS:: area => areaQuad - PROCEDURE, PASS:: fPsi => fPsiQuad - PROCEDURE, PASS:: dPsi => dPsiQuad - PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad - PROCEDURE, PASS:: elemK => elemKQuad - PROCEDURE, PASS:: elemF => elemFQuad - PROCEDURE, PASS:: gatherElectricField => gatherEFQuad - PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad - PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: getNodes => getNodesQuad - PROCEDURE, PASS:: phy2log => phy2logQuad - PROCEDURE, PASS:: nextElement => nextElementQuad + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCellQuad2DCyl + PROCEDURE, PASS:: getNodes => getNodesQuad + PROCEDURE, PASS:: randPos => randPosCellQuad + PROCEDURE, NOPASS:: fPsi => fPsiQuad + PROCEDURE, NOPASS:: dPsi => dPsiQuad + PROCEDURE, PASS:: partialDer => partialDerQuad + PROCEDURE, NOPASS:: detJac => detJ2DCyl + PROCEDURE, NOPASS:: invJac => invJ2DCyl + PROCEDURE, PASS:: gatherElectricField => gatherEFQuad + PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad + PROCEDURE, PASS:: elemK => elemKQuad + PROCEDURE, PASS:: elemF => elemFQuad + PROCEDURE, NOPASS:: inside => insideQuad + PROCEDURE, PASS:: phy2log => phy2logQuad + PROCEDURE, PASS:: neighbourElement => neighbourElementQuad + !PARTICLUAR PROCEDURES + PROCEDURE, PASS:: area => areaQuad END TYPE meshCell2DCylQuad !Triangular volume element - TYPE, PUBLIC, EXTENDS(meshCell2DCyl):: meshCell2DCylTria + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell2DCylTria !Element coordinates REAL(8):: r(1:3) = 0.D0, z(1:3) = 0.D0 !Connectivity to nodes @@ -96,20 +82,24 @@ MODULE moduleMesh2DCyl REAL(8):: arNodes(1:3) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initCellTria2DCyl - PROCEDURE, PASS:: randPos => randPosCellTria - PROCEDURE, PASS:: area => areaTria - PROCEDURE, PASS:: fPsi => fPsiTria - PROCEDURE, PASS:: dPsi => dPsiTria - PROCEDURE, PASS, PRIVATE:: partialDer => partialDerTria - PROCEDURE, PASS:: elemK => elemKTria - PROCEDURE, PASS:: elemF => elemFTria - PROCEDURE, PASS:: gatherElectricField => gatherEFTria - PROCEDURE, PASS:: gatherMagneticField => gatherMFTria - PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: getNodes => getNodesTria - PROCEDURE, PASS:: phy2log => phy2logTria - PROCEDURE, PASS:: nextElement => nextElementTria + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCellTria2DCyl + PROCEDURE, PASS:: getNodes => getNodesTria + PROCEDURE, PASS:: randPos => randPosCellTria + PROCEDURE, NOPASS:: fPsi => fPsiTria + PROCEDURE, NOPASS:: dPsi => dPsiTria + PROCEDURE, PASS:: partialDer => partialDerTria + PROCEDURE, NOPASS:: detJac => detJ2DCyl + PROCEDURE, NOPASS:: invJac => invJ2DCyl + PROCEDURE, PASS:: gatherElectricField => gatherEFTria + PROCEDURE, PASS:: gatherMagneticField => gatherMFTria + PROCEDURE, PASS:: elemK => elemKTria + PROCEDURE, PASS:: elemF => elemFTria + PROCEDURE, NOPASS:: inside => insideTria + PROCEDURE, PASS:: phy2log => phy2logTria + PROCEDURE, PASS:: neighbourElement => neighbourElementTria + !PARTICULAR PROCEDURES + PROCEDURE, PASS:: area => areaTria END TYPE meshCell2DCylTria @@ -294,99 +284,17 @@ MODULE moduleMesh2DCyl END SUBROUTINE initCellQuad2DCyl - !Computes element area - PURE SUBROUTINE areaQuad(self) - USE moduleConstParam, ONLY: PI8 - IMPLICIT NONE - - CLASS(meshCell2DCylQuad), INTENT(inout):: self - REAL(8):: r, Xi(1:3) - REAL(8):: detJ - REAL(8):: fPsi(1:4), fPsi_node(1:4) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !2D 1 point Gauss Quad Integral - Xi = 0.D0 - detJ = self%detJac(Xi, 4)*PI8 !4*2*pi - fPsi = self%fPsi(Xi, 4) - !Computes total volume of the cell - r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ - !Computes volume per node - Xi = (/-5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%arNodes(1) = fPsi(1)*r*detJ - Xi = (/ 5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%arNodes(2) = fPsi(2)*r*detJ - Xi = (/ 5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%arNodes(3) = fPsi(3)*r*detJ - Xi = (/-5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%arNodes(4) = fPsi(4)*r*detJ - - END SUBROUTINE areaQuad - - !Computes element functions in point Xi - PURE FUNCTION fPsiQuad(self, Xi, nNodes) RESULT(fPsi) - IMPLICIT NONE - - CLASS(meshCell2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8):: fPsi(1:nNodes) - - fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0+Xi(2)), & - (1.D0-Xi(1)) * (1.D0+Xi(2)) /) - - fPsi = fPsi*0.25D0 - - END FUNCTION fPsiQuad - - !Derivative element function at coordinates Xi - PURE FUNCTION dPsiQuad(self, Xi, nNodes) RESULT(dPsi) - IMPLICIT NONE - - CLASS(meshCell2DCylQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8):: dPsi(1:3,1:nNodes) - - dPsi = 0.D0 - - dPsi(1,:) = (/ -(1.D0 - Xi(2)), & - (1.D0 - Xi(2)), & - (1.D0 + Xi(2)), & - -(1.D0 + Xi(2)) /) - - dPsi(2,:) = (/ -(1.D0 - Xi(1)), & - -(1.D0 + Xi(1)), & - (1.D0 + Xi(1)), & - (1.D0 - Xi(1)) /) - - dPsi = dPsi * 0.25D0 - - END FUNCTION dPsiQuad - - !Partial derivative in global coordinates - PURE SUBROUTINE partialDerQuad(self, nNodes, dPsi, dz, dr) + !Gets nodes from quadrilateral element + PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr + INTEGER:: n(1:nNodes) - dz = (/ DOT_PRODUCT(dPsi(1,1:4),self%z(1:4)), & - DOT_PRODUCT(dPsi(2,1:4),self%z(1:4)) /) - dr = (/ DOT_PRODUCT(dPsi(1,1:4),self%r(1:4)), & - DOT_PRODUCT(dPsi(2,1:4),self%r(1:4)) /) + n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) - END SUBROUTINE partialDerQuad + END FUNCTION getNodesQuad !Random position in quadrilateral volume FUNCTION randPosCellQuad(self) RESULT(r) @@ -410,74 +318,64 @@ MODULE moduleMesh2DCyl END FUNCTION randPosCellQuad - !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) - USE moduleConstParam, ONLY: PI2 + !Computes element functions in point Xi + PURE FUNCTION fPsiQuad(Xi, nNodes) RESULT(fPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) + + fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0+Xi(2)), & + (1.D0-Xi(1)) * (1.D0+Xi(2)) /) + + fPsi = fPsi*0.25D0 + + END FUNCTION fPsiQuad + + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiQuad(Xi, nNodes) RESULT(dPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) + + dPsi = 0.D0 + + dPsi(1,:) = (/ -(1.D0 - Xi(2)), & + (1.D0 - Xi(2)), & + (1.D0 + Xi(2)), & + -(1.D0 + Xi(2)) /) + + dPsi(2,:) = (/ -(1.D0 - Xi(1)), & + -(1.D0 + Xi(1)), & + (1.D0 + Xi(1)), & + (1.D0 - Xi(1)) /) + + dPsi = dPsi * 0.25D0 + + END FUNCTION dPsiQuad + + !Partial derivative in global coordinates + PURE FUNCTION partialDerQuad(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:3,1:4) - REAL(8):: r - REAL(8):: invJ(1:3,1:3), detJ - INTEGER:: l, m + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) + REAL(8):: pDer(1:3, 1:3) - localK=0.D0 - Xi=0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 3 - Xi(2) = corQuad(l) - DO m = 1, 3 - Xi(1) = corQuad(m) - fPsi = self%fPsi(Xi, 4) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, 4, dPsi) - invJ = self%invJac(Xi, 4, dPsi) - r = DOT_PRODUCT(fPsi,self%r) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & - MATMUL(invJ,dPsi))* & - r*wQuad(l)*wQuad(m)/detJ + pDer = 0.D0 - END DO - END DO - localK = localK*PI2 + pDer(1, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:4),self%z(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%z(1:4)) /) + pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:4),self%r(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%r(1:4)) /) - END FUNCTION elemKQuad - - !Computes the local source vector for a force f - PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) - USE moduleConstParam, ONLY: PI2 - IMPLICIT NONE - - CLASS(meshCell2DCylQuad), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4) - REAL(8):: r - REAL(8):: detJ, f - INTEGER:: l, m - - localF = 0.D0 - Xi = 0.D0 - DO l=1, 3 - Xi(1) = corQuad(l) - DO m = 1, 3 - Xi(2) = corQuad(m) - detJ = self%detJac(Xi, 4) - fPsi = self%fPsi(Xi, 4) - r = DOT_PRODUCT(fPsi,self%r) - f = DOT_PRODUCT(fPsi,source) - localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ - - END DO - END DO - localF = localF*PI2 - - END FUNCTION elemFQuad + END FUNCTION partialDerQuad PURE FUNCTION gatherEFQuad(self, Xi) RESULT(array) IMPLICIT NONE @@ -521,6 +419,80 @@ MODULE moduleMesh2DCyl END FUNCTION gatherMFQuad + !Computes element local stiffness matrix + PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell2DCylQuad), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: r + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l, m + + localK=0.D0 + Xi=0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 3 + Xi(2) = corQuad(l) + DO m = 1, 3 + Xi(1) = corQuad(m) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + fPsi = self%fPsi(Xi, 4) + r = DOT_PRODUCT(fPsi,self%r) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & + r*wQuad(l)*wQuad(m)/detJ + + END DO + END DO + localK = localK*PI2 + + END FUNCTION elemKQuad + + !Computes the local source vector for a force f + PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell2DCylQuad), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: r + REAL(8):: detJ, f + INTEGER:: l, m + + localF = 0.D0 + Xi = 0.D0 + DO l=1, 3 + Xi(1) = corQuad(l) + DO m = 1, 3 + Xi(2) = corQuad(m) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 4) + r = DOT_PRODUCT(fPsi,self%r) + f = DOT_PRODUCT(fPsi,source) + localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ + + END DO + END DO + localF = localF*PI2 + + END FUNCTION elemFQuad + !Checks if a particle is inside a quad element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -533,18 +505,6 @@ MODULE moduleMesh2DCyl END FUNCTION insideQuad - !Gets nodes from quadrilateral element - PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell2DCylQuad), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) - - END FUNCTION getNodesQuad - !Transforms physical coordinates to element coordinates PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE @@ -554,6 +514,7 @@ MODULE moduleMesh2DCyl REAL(8):: Xi(1:3) REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) + REAL(8):: pDer(1:3, 1:3) REAL(8):: conv !Iterative newton method to transform coordinates @@ -562,8 +523,9 @@ MODULE moduleMesh2DCyl DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO, 4) - invJ = self%invJac(XiO, 4, dPsi) - detJ = self%detJac(XiO, 4, dPsi) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%z), & DOT_PRODUCT(fPsi,self%r), & @@ -578,31 +540,69 @@ MODULE moduleMesh2DCyl END FUNCTION phy2logQuad !Gets the next element for a logical position Xi - SUBROUTINE nextElementQuad(self, Xi, nextElement) + SUBROUTINE neighbourElementQuad(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement REAL(8):: XiArray(1:4) INTEGER:: nextInt XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) nextInt = MAXLOC(XiArray,1) !Selects the higher value of directions and searches in that direction - NULLIFY(nextElement) + NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) - nextElement => self%e1 + neighbourElement => self%e1 CASE (2) - nextElement => self%e2 + neighbourElement => self%e2 CASE (3) - nextElement => self%e3 + neighbourElement => self%e3 CASE (4) - nextElement => self%e4 + neighbourElement => self%e4 END SELECT - END SUBROUTINE nextElementQuad + END SUBROUTINE neighbourElementQuad + + !Computes element area + PURE SUBROUTINE areaQuad(self) + USE moduleConstParam, ONLY: PI8 + IMPLICIT NONE + + CLASS(meshCell2DCylQuad), INTENT(inout):: self + REAL(8):: r, Xi(1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:4) + REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + Xi = 0.D0 + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer)*PI8 !4*2*pi + fPsi = self%fPsi(Xi, 4) + !Computes total volume of the cell + r = DOT_PRODUCT(fPsi,self%r) + self%volume = r*detJ + !Computes volume per node + Xi = (/-5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%arNodes(1) = fPsi(1)*r*detJ + Xi = (/ 5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%arNodes(2) = fPsi(2)*r*detJ + Xi = (/ 5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%arNodes(3) = fPsi(3)*r*detJ + Xi = (/-5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%arNodes(4) = fPsi(4)*r*detJ + + END SUBROUTINE areaQuad !TRIA ELEMENT !Init tria element @@ -645,6 +645,18 @@ MODULE moduleMesh2DCyl END SUBROUTINE initCellTria2DCyl + !Gets node indexes from triangular element + PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) + IMPLICIT NONE + + CLASS(meshCell2DCylTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) + + n = (/self%n1%n, self%n2%n, self%n3%n /) + + END FUNCTION getNodesTria + !Random position in quadrilateral volume FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom @@ -667,36 +679,10 @@ MODULE moduleMesh2DCyl END FUNCTION randPosCellTria - !Calculates area for triangular element - PURE SUBROUTINE areaTria(self) - USE moduleConstParam, ONLY: PI - IMPLICIT NONE - - CLASS(meshCell2DCylTria), INTENT(inout):: self - REAL(8):: Xi(1:3) - REAL(8):: r - REAL(8):: detJ - REAL(8):: fPsi(1:3) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !2D 1 point Gauss Quad Integral - Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(Xi, 3)*PI !2PI*1/2 - fPsi = self%fPsi(Xi, 4) - !Computes total volume of the cell - r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ - !Computes volume per node - self%arNodes = fPsi*r*detJ - - END SUBROUTINE areaTria - !Shape functions for triangular element - PURE FUNCTION fPsiTria(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsiTria(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) @@ -708,10 +694,9 @@ MODULE moduleMesh2DCyl END FUNCTION fPsiTria !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTria(self, Xi, nNodes) RESULT(dPsi) + PURE FUNCTION dPsiTria(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3,1:nNodes) @@ -723,84 +708,22 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiTria - PURE SUBROUTINE partialDerTria(self, nNodes, dPsi, dz, dr) + PURE FUNCTION partialDerTria(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self INTEGER, INTENT(in):: nNodes REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dz, dr + REAL(8):: pDer(1:3, 1:3) - dz = (/ DOT_PRODUCT(dPsi(1,:),self%z), & - DOT_PRODUCT(dPsi(2,:),self%z) /) - dr = (/ DOT_PRODUCT(dPsi(1,:),self%r), & - DOT_PRODUCT(dPsi(2,:),self%r) /) + pDer = 0.D0 - END SUBROUTINE partialDerTria + pDer(1, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%z(1:3)), & + DOT_PRODUCT(dPsi(2,1:3),self%z(1:3)) /) + pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%r(1:3)), & + DOT_PRODUCT(dPsi(2,1:3),self%r(1:3)) /) - !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) - USE moduleConstParam, ONLY: PI2 - IMPLICIT NONE - - CLASS(meshCell2DCylTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: r - REAL(8):: fPsi(1:3), dPsi(1:3,1:3) - REAL(8):: invJ(1:3,1:3), detJ - INTEGER:: l - - localK=0.D0 - Xi=0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 4 - Xi(1) = Xi1Tria(l) - Xi(2) = Xi2Tria(l) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, 3, dPsi) - invJ = self%invJac(Xi, 3, dPsi) - fPsi = self%fPsi(Xi, 4) - r = DOT_PRODUCT(fPsi,self%r) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ - - END DO - localK = localK*PI2 - - END FUNCTION elemKTria - - !Computes element local source vector - PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) - USE moduleConstParam, ONLY: PI2 - IMPLICIT NONE - - CLASS(meshCell2DCylTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: fPsi(1:3) - REAL(8):: Xi(1:3) - REAL(8):: r - REAL(8):: detJ, f - INTEGER:: l - - localF = 0.D0 - Xi = 0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 4 - Xi(1) = Xi1Tria(l) - Xi(2) = Xi2Tria(l) - detJ = self%detJac(Xi, 3) - fPsi = self%fPsi(Xi, 3) - r = DOT_PRODUCT(fPsi,self%r) - f = DOT_PRODUCT(fPsi,source) - localF = localF + r*f*fPsi*wTria(l)*detJ - - END DO - localF = localF*PI2 - - END FUNCTION elemFTria + END FUNCTION partialDerTria PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) IMPLICIT NONE @@ -840,6 +763,75 @@ MODULE moduleMesh2DCyl END FUNCTION gatherMFTria + !Computes element local stiffness matrix + PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell2DCylTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: r + REAL(8):: fPsi(1:3), dPsi(1:3,1:3) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l + + localK=0.D0 + Xi=0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + fPsi = self%fPsi(Xi, 3) + r = DOT_PRODUCT(fPsi,self%r) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ + + END DO + localK = localK*PI2 + + END FUNCTION elemKTria + + !Computes element local source vector + PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell2DCylTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: fPsi(1:3) + REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) + REAL(8):: Xi(1:3) + REAL(8):: r + REAL(8):: detJ, f + INTEGER:: l + + localF = 0.D0 + Xi = 0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 3) + r = DOT_PRODUCT(fPsi,self%r) + f = DOT_PRODUCT(fPsi,source) + localF = localF + r*f*fPsi*wTria(l)*detJ + + END DO + localF = localF*PI2 + + END FUNCTION elemFTria + PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE @@ -852,18 +844,6 @@ MODULE moduleMesh2DCyl END FUNCTION insideTria - !Gets node indexes from triangular element - PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell2DCylTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/self%n1%n, self%n2%n, self%n3%n /) - - END FUNCTION getNodesTria - !Transforms physical coordinates to element coordinates PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE @@ -871,96 +851,97 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: invJ(1:3,1:3), detJ REAL(8):: deltaR(1:3) - REAL(8):: dPsi(1:3,1:3) + REAL(8):: dPsi(1:3, 1:3) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3, 1:3), detJ !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%z(1), r(2) - self%r(1), 0.D0 /) dPsi = self%dPsi(Xi, 3) - invJ = self%invJac(Xi, 3, dPsi) - detJ = self%detJac(Xi, 3, dPsi) + pDer = self%partialDer(3, dPsi) + invJ = self%invJac(pDer) + detJ = self%detJac(pDer) Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria - SUBROUTINE nextElementTria(self, Xi, nextElement) + SUBROUTINE neighbourElementTria(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement REAL(8):: XiArray(1:3) INTEGER:: nextInt XiArray = (/ Xi(2), 1.D0-Xi(1)-Xi(2), Xi(1) /) nextInt = MINLOC(XiArray,1) - NULLIFY(nextElement) + NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) - nextElement => self%e1 + neighbourElement => self%e1 CASE (2) - nextElement => self%e2 + neighbourElement => self%e2 CASE (3) - nextElement => self%e3 + neighbourElement => self%e3 END SELECT - END SUBROUTINE nextElementTria + END SUBROUTINE neighbourElementTria + + !Calculates area for triangular element + PURE SUBROUTINE areaTria(self) + USE moduleConstParam, ONLY: PI + IMPLICIT NONE + + CLASS(meshCell2DCylTria), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: r + REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:3) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + Xi = (/ 1.D0/3.D0, 1.D0/3.D0, 0.D0 /) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer)*PI !2PI*1/2 + fPsi = self%fPsi(Xi, 4) + !Computes total volume of the cell + r = DOT_PRODUCT(fPsi,self%r) + self%volume = r*detJ + !Computes volume per node + self%arNodes = fPsi*r*detJ + + END SUBROUTINE areaTria !COMMON FUNCTIONS FOR CYLINDRICAL VOLUME ELEMENTS !Computes element Jacobian determinant - PURE FUNCTION detJ2DCyl(self, Xi, nNodes, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCyl(pDer) RESULT(dJ) IMPLICIT NONE - CLASS(meshCell2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: dJ - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dz(1:2), dr(1:2) - IF(PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, nNodes) - - END IF - - CALL self%partialDer(nNodes, dPsi, dz, dr) - - dJ = dz(1)*dr(2)-dz(2)*dr(1) + dJ = pDer(1,1)*pDer(2,2)-pDer(1,2)*pDer(2,1) END FUNCTION detJ2DCyl !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCyl(self, Xi, nNodes, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCyl(pDer) RESULT(invJ) IMPLICIT NONE - CLASS(meshCell2DCyl), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dz(1:2), dr(1:2) - - IF(PRESENT(dPsi_in)) THEN - dPsi=dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 4) - - END IF invJ = 0.D0 - CALL self%partialDer(nNodes, dPsi, dz, dr) - - invJ(1,1:2) = (/ dr(2), -dz(2) /) - invJ(2,1:2) = (/ -dr(1), dz(1) /) + invJ(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) + invJ(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) + invJ(3,3) = 1.D0 END FUNCTION invJ2DCyl diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 705587a..a2c849d 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -11,6 +11,7 @@ MODULE moduleMesh3DCart !Element coordinates REAL(8):: x, y, z CONTAINS + !meshNode DEFERRED PROCEDURES PROCEDURE, PASS:: init => initNode3DCart PROCEDURE, PASS:: getCoordinates => getCoord3DCart @@ -23,36 +24,18 @@ MODULE moduleMesh3DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() CONTAINS + !meshEdge DEFERRED PROCEDURES PROCEDURE, PASS:: init => initEdge3DCartTria PROCEDURE, PASS:: getNodes => getNodes3DCartTria PROCEDURE, PASS:: intersection => intersection3DCartTria PROCEDURE, PASS:: randPos => randPosEdgeTria + !PARTICULAR PROCEDURES PROCEDURE, NOPASS:: fPsi => fPsiEdgeTria END TYPE meshEdge3DCartTria - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell3DCart - CONTAINS - PROCEDURE, PASS:: detJac => detJ3DCart - PROCEDURE, PASS:: invJac => invJ3DCart - PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - - END TYPE meshCell3DCart - - ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx, dy, dz) - IMPORT meshCell3DCart - CLASS(meshCell3DCart), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz - - END SUBROUTINE partialDer_interface - - END INTERFACE - !Tetrahedron volume element - TYPE, PUBLIC, EXTENDS(meshCell3DCart):: meshCell3DCartTetra + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell3DCartTetra !Element Coordinates REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0, z(1:4) = 0.D0 !Connectivity to nodes @@ -60,22 +43,24 @@ MODULE moduleMesh3DCart !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() CONTAINS - PROCEDURE, PASS:: init => initCellTetra - PROCEDURE, PASS:: randPos => randPosCellTetra - PROCEDURE, PASS:: calcCell => volumeTetra - PROCEDURE, PASS:: fPsi => fPsiTetra - PROCEDURE, PASS:: dPsi => dPsiTetra - PROCEDURE, NOPASS, PRIVATE:: dPsiXi1 => dPsiTetraXi1 - PROCEDURE, NOPASS, PRIVATE:: dPsiXi2 => dPsiTetraXi2 - PROCEDURE, PASS:: partialDer => partialDerTetra - PROCEDURE, PASS:: elemK => elemKTetra - PROCEDURE, PASS:: elemF => elemFTetra - PROCEDURE, PASS:: gatherElectricField => gatherEFTetra - PROCEDURE, PASS:: gatherMagneticField => gatherMFTetra - PROCEDURE, NOPASS:: inside => insideTetra - PROCEDURE, PASS:: getNodes => getNodesTetra - PROCEDURE, PASS:: phy2log => phy2logTetra - PROCEDURE, PASS:: nextElement => nextElementTetra + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCellTetra + PROCEDURE, PASS:: getNodes => getNodesTetra + PROCEDURE, PASS:: randPos => randPosCellTetra + PROCEDURE, NOPASS:: fPsi => fPsiTetra + PROCEDURE, NOPASS:: dPsi => dPsiTetra + PROCEDURE, PASS:: partialDer => partialDerTetra + PROCEDURE, NOPASS:: detJac => detJ3DCart + PROCEDURE, NOPASS:: invJac => invJ3DCart + PROCEDURE, PASS:: gatherElectricField => gatherEFTetra + PROCEDURE, PASS:: gatherMagneticField => gatherMFTetra + PROCEDURE, PASS:: elemK => elemKTetra + PROCEDURE, PASS:: elemF => elemFTetra + PROCEDURE, NOPASS:: inside => insideTetra + PROCEDURE, PASS:: phy2log => phy2logTetra + PROCEDURE, PASS:: neighbourElement => neighbourElementTetra + !PARTICULAR PROCEDURES + PROCEDURE, PASS:: calcVol => volumeTetra END TYPE meshCell3DCartTetra @@ -227,13 +212,11 @@ MODULE moduleMesh3DCart IMPLICIT NONE REAL(8), INTENT(in):: Xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) - - ALLOCATE(fPsi(1:3)) + REAL(8):: fPsi(1:3) fPsi(1) = 1.D0 - Xi(1) - Xi(2) fPsi(2) = Xi(1) - fPsi(3) = Xi(2) + fPsi(3) = Xi(2) END FUNCTION fPsiEdgeTria @@ -268,7 +251,7 @@ MODULE moduleMesh3DCart self%z = (/r1(3), r2(3), r3(3), r4(3)/) !Computes the element volume - CALL self%calcCell() + CALL self%calcVol() !Assign proportional volume to each node Xi = (/0.25D0, 0.25D0, 0.25D0/) @@ -286,6 +269,17 @@ MODULE moduleMesh3DCart END SUBROUTINE initCellTetra + PURE FUNCTION getNodesTetra(self, nNodes) RESULT(n) + IMPLICIT NONE + + CLASS(meshCell3DCartTetra), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) + + n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) + + END FUNCTION getNodesTetra + !Random position in volume tetrahedron FUNCTION randPosCellTetra(self) RESULT(r) USE moduleRandom @@ -308,24 +302,10 @@ MODULE moduleMesh3DCart END FUNCTION randPosCellTetra - !Computes the element volume - PURE SUBROUTINE volumeTetra(self) - IMPLICIT NONE - - CLASS(meshCell3DCartTetra), INTENT(inout):: self - REAL(8):: Xi(1:3) - - self%volume = 0.D0 - Xi = (/0.25D0, 0.25D0, 0.25D0/) - self%volume = self%detJac(Xi, 4) - - END SUBROUTINE volumeTetra - !Computes element functions in point Xi - PURE FUNCTION fPsiTetra(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsiTetra(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) @@ -338,127 +318,45 @@ MODULE moduleMesh3DCart END FUNCTION fPsiTetra !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTetra(self, Xi, nNodes) RESULT(dPsi) + PURE FUNCTION dPsiTetra(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3, 1:nNodes) dPsi = 0.D0 - dPsi(1,:) = dPsiTetraXi1(Xi(2), Xi(3)) - dPsi(2,:) = dPsiTetraXi2(Xi(1), Xi(3)) - dPsi(3,:) = dPsiTetraXi3(Xi(1), Xi(2)) + dPsi(1,1:4) = (/ -1.D0, 1.D0, 0.D0, 0.D0 /) + dPsi(2,1:4) = (/ -1.D0, 0.D0, 1.D0, 0.D0 /) + dPsi(3,1:4) = (/ -1.D0, 0.D0, 0.D0, 1.D0 /) END FUNCTION dPsiTetra - !Derivative element function respect to Xi1 - PURE FUNCTION dPsiTetraXi1(Xi2, Xi3) RESULT(dPsiXi1) - IMPLICIT NONE - REAL(8), INTENT(in):: Xi2, Xi3 - REAL(8):: dPsiXi1(1:4) - - dPsiXi1(1) = -1.D0 - dPsiXi1(2) = 1.D0 - dPsiXi1(3) = 0.D0 - dPsiXi1(4) = 0.D0 - - END FUNCTION dPsiTetraXi1 - - !Derivative element function respect to Xi2 - PURE FUNCTION dPsiTetraXi2(Xi1, Xi3) RESULT(dPsiXi2) - IMPLICIT NONE - REAL(8), INTENT(in):: Xi1, Xi3 - REAL(8):: dPsiXi2(1:4) - - dPsiXi2(1) = -1.D0 - dPsiXi2(2) = 0.D0 - dPsiXi2(3) = 1.D0 - dPsiXi2(4) = 0.D0 - - END FUNCTION dPsiTetraXi2 - - !Derivative element function respect to Xi3 - PURE FUNCTION dPsiTetraXi3(Xi1, Xi2) RESULT(dPsiXi3) - IMPLICIT NONE - REAL(8), INTENT(in):: Xi1, Xi2 - REAL(8):: dPsiXi3(1:4) - - dPsiXi3(1) = -1.D0 - dPsiXi3(2) = 0.D0 - dPsiXi3(3) = 0.D0 - dPsiXi3(4) = 1.D0 - - END FUNCTION dPsiTetraXi3 - !Computes the derivatives in global coordinates - PURE SUBROUTINE partialDerTetra(self, nNodes, dPsi, dx, dy, dz) + PURE FUNCTION partialDerTetra(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self INTEGER, INTENT(in):: nNodes REAL(8), INTENT(in):: dPsi(1:3, 1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:3):: dx, dy, dz + REAL(8):: pDer(1:3, 1:3) - dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) - dx(2) = DOT_PRODUCT(dPsi(2,:), self%x) - dx(3) = DOT_PRODUCT(dPsi(3,:), self%x) + pDer = 0.D0 - dy(1) = DOT_PRODUCT(dPsi(1,:), self%y) - dy(2) = DOT_PRODUCT(dPsi(2,:), self%y) - dy(3) = DOT_PRODUCT(dPsi(3,:), self%y) + pDer(1, 1:3) = (/ DOT_PRODUCT(dPsi(1,1:4), self%x(1:4)), & + DOT_PRODUCT(dPsi(2,1:4), self%x(1:4)), & + DOT_PRODUCT(dPsi(3,1:4), self%x(1:4)) /) - dz(1) = DOT_PRODUCT(dPsi(1,:), self%z) - dz(2) = DOT_PRODUCT(dPsi(2,:), self%z) - dz(3) = DOT_PRODUCT(dPsi(3,:), self%z) + pDer(2, 1:3) = (/ DOT_PRODUCT(dPsi(1,1:4), self%y(1:4)), & + DOT_PRODUCT(dPsi(2,1:4), self%y(1:4)), & + DOT_PRODUCT(dPsi(3,1:4), self%y(1:4)) /) - END SUBROUTINE partialDerTetra + pDer(3, 1:3) = (/ DOT_PRODUCT(dPsi(1,1:4), self%z(1:4)), & + DOT_PRODUCT(dPsi(2,1:4), self%z(1:4)), & + DOT_PRODUCT(dPsi(3,1:4), self%z(1:4)) /) - PURE FUNCTION elemKTetra(self, nNodes) RESULT(localK) - IMPLICIT NONE - - CLASS(meshCell3DCartTetra), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) - REAL(8):: invJ(1:3,1:3), detJ - - localK = 0.D0 - Xi = 0.D0 - !TODO: One point Gauss integral. Upgrade when possible - Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, 4, dPsi) - invJ = self%invJac(Xi, 4, dPsi) - fPsi = self%fPsi(Xi, 4) - localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ - - END FUNCTION elemKTetra - - PURE FUNCTION elemFTetra(self, nNodes, source) RESULT(localF) - IMPLICIT NONE - - CLASS(meshCell3DCartTetra), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) - REAL(8):: Xi(1:3) - REAL(8):: detJ, f - - localF = 0.D0 - Xi = 0.D0 - Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, 4, dPsi) - fPsi = self%fPsi(Xi, 4) - f = DOT_PRODUCT(fPsi, source) - localF = f*fPsi*1.D0*detJ - - END FUNCTION elemFTetra + END FUNCTION partialDerTetra PURE FUNCTION gatherEFTetra(self, Xi) RESULT(array) IMPLICIT NONE @@ -502,6 +400,54 @@ MODULE moduleMesh3DCart END FUNCTION gatherMFTetra + PURE FUNCTION elemKTetra(self, nNodes) RESULT(localK) + IMPLICIT NONE + + CLASS(meshCell3DCartTetra), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3,1:3), detJ + + localK = 0.D0 + Xi = 0.D0 + !TODO: One point Gauss integral. Upgrade when possible + Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + fPsi = self%fPsi(Xi, 4) + localK = MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*1.D0/detJ + + END FUNCTION elemKTetra + + PURE FUNCTION elemFTetra(self, nNodes, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshCell3DCartTetra), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: detJ, f + + localF = 0.D0 + Xi = 0.D0 + Xi = (/ 0.25D0, 0.25D0, 0.25D0 /) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 4) + f = DOT_PRODUCT(fPsi, source) + localF = f*fPsi*1.D0*detJ + + END FUNCTION elemFTetra + PURE FUNCTION insideTetra(Xi) RESULT(ins) IMPLICIT NONE @@ -515,121 +461,101 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra - PURE FUNCTION getNodesTetra(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell3DCartTetra), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) - - END FUNCTION getNodesTetra - PURE FUNCTION phy2logTetra(self,r) RESULT(Xi) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) REAL(8):: invJ(1:3, 1:3), detJ REAL(8):: deltaR(1:3) - REAL(8):: dPsi(1:3, 1:4) Xi = 0.D0 deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) dPsi = self%dPsi(Xi, 4) - invJ = self%invJac(Xi, 4, dPsi) - detJ = self%detJac(Xi, 4, dPsi) + pDer = self%partialDer(4, dPsi) + invJ = self%invJac(pDer) + detJ = self%detJac(pDer) Xi = MATMUL(invJ, deltaR)/detJ END FUNCTION phy2logTetra - SUBROUTINE nextElementTetra(self, Xi, nextElement) + SUBROUTINE neighbourElementTetra(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement REAL(8):: XiArray(1:4) INTEGER:: nextInt !TODO: Review when connectivity XiArray = (/ Xi(3), 1.D0 - Xi(1) - Xi(2) - Xi(3), Xi(2), Xi(1) /) nextInt = MINLOC(XiArray, 1) - NULLIFY(nextElement) + NULLIFY(neighbourElement) SELECT CASE(nextInt) CASE (1) - nextElement => self%e1 + neighbourElement => self%e1 CASE (2) - nextElement => self%e2 + neighbourElement => self%e2 CASE (3) - nextElement => self%e3 + neighbourElement => self%e3 CASE (4) - nextElement => self%e4 + neighbourElement => self%e4 END SELECT - END SUBROUTINE nextElementTetra + END SUBROUTINE neighbourElementTetra + + !Computes the element volume + PURE SUBROUTINE volumeTetra(self) + IMPLICIT NONE + + CLASS(meshCell3DCartTetra), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + + self%volume = 0.D0 + Xi = (/0.25D0, 0.25D0, 0.25D0/) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + self%volume = self%detJac(pDer) + + END SUBROUTINE volumeTetra !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 3D !Computes element Jacobian determinant - PURE FUNCTION detJ3DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ3DCart(pDer) RESULT(dJ) IMPLICIT NONE - CLASS(meshCell3DCart), INTENT(in)::self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: dJ - REAL(8):: dPsi(1:3, 1:nNodes) - REAL(8):: dx(1:3), dy(1:3), dz(1:3) - IF (PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 4) - - END IF - - CALL self%partialDer(nNodes, dPsi, dx, dy, dz) - dJ = dx(1)*(dy(2)*dz(3) - dy(3)*dz(2)) & - - dx(2)*(dy(1)*dz(3) - dy(3)*dz(1)) & - + dx(3)*(dy(1)*dz(2) - dy(2)*dz(1)) + dJ = pDer(1,1)*(pDer(2,2)*pDer(3,3) - pDer(2,3)*pDer(3,2)) & + - pDer(1,2)*(pDer(2,1)*pDer(3,3) - pDer(2,3)*pDer(3,1)) & + + pDer(1,3)*(pDer(2,1)*pDer(3,2) - pDer(2,2)*pDer(3,1)) END FUNCTION detJ3DCart - PURE FUNCTION invJ3DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ3DCart(pDer) RESULT(invJ) IMPLICIT NONE - CLASS(meshCell3DCart), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3, 1:nNodes) - REAL(8):: dPsi(1:3, 1:nNodes) - REAL(8), DIMENSION(1:3):: dx, dy, dz + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3) - IF(PRESENT(dPsi_in)) THEN - dPsi=dPsi_in + invJ(1,1:3) = (/ (pDer(2,2)*pDer(3,3) - pDer(2,3)*pDer(3,2)), & + -(pDer(2,1)*pDer(3,3) - pDer(2,3)*pDer(3,1)), & + (pDer(2,1)*pDer(3,2) - pDer(2,2)*pDer(3,1)) /) - ELSE - dPsi = self%dPsi(Xi, 4) + invJ(2,1:3) = (/ -(pDer(1,2)*pDer(3,3) - pDer(1,3)*pDer(3,2)), & + (pDer(1,1)*pDer(3,3) - pDer(1,3)*pDer(3,1)), & + -(pDer(1,1)*pDer(3,2) - pDer(1,2)*pDer(3,1)) /) - END IF - - CALL self%partialDer(nNodes, dPsi, dx, dy, dz) - invJ(1,1) = (dy(2)*dz(3) - dy(3)*dz(2)) - invJ(1,2) = -(dy(1)*dz(3) - dy(3)*dz(1)) - invJ(1,3) = (dy(1)*dz(2) - dy(2)*dz(1)) - - invJ(2,1) = -(dx(2)*dz(3) - dx(3)*dz(2)) - invJ(2,2) = (dx(1)*dz(3) - dx(3)*dz(1)) - invJ(2,3) = -(dx(1)*dz(2) - dx(2)*dz(1)) - - invJ(3,1) = (dx(2)*dy(3) - dx(3)*dy(2)) - invJ(3,2) = -(dx(1)*dy(3) - dx(3)*dy(1)) - invJ(3,3) = (dx(1)*dy(2) - dx(2)*dy(1)) + invJ(3,1:3) = (/ (pDer(1,2)*pDer(2,3) - pDer(1,3)*pDer(2,2)), & + -(pDer(1,1)*pDer(2,3) - pDer(1,3)*pDer(2,1)), & + (pDer(1,1)*pDer(2,2) - pDer(1,2)*pDer(2,1)) /) invJ = TRANSPOSE(invJ) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 6561850..97ce691 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -24,8 +24,10 @@ MODULE moduleMesh !Lock indicator for scattering INTEGER(KIND=OMP_LOCK_KIND):: lock CONTAINS + !DEFERED PROCEDURES PROCEDURE(initNode_interface), DEFERRED, PASS:: init PROCEDURE(getCoord_interface), DEFERRED, PASS:: getCoordinates + !GENERIC PROCEDURES PROCEDURE, PASS:: resetOutput END TYPE meshNode @@ -83,6 +85,7 @@ MODULE moduleMesh !Physical surface for the edge INTEGER:: physicalSurface CONTAINS + !DEFERED PROCEDURES PROCEDURE(initEdge_interface), DEFERRED, PASS:: init PROCEDURE(getNodesEdge_interface), DEFERRED, PASS:: getNodes PROCEDURE(intersectionEdge_interface), DEFERRED, PASS:: intersection @@ -166,37 +169,41 @@ MODULE moduleMesh !Total weight of particles inside cell REAL(8), ALLOCATABLE:: totalWeight(:) CONTAINS + !DEFERRED PROCEDURES !Init the cell - PROCEDURE(initCell_interface), DEFERRED, PASS:: init + PROCEDURE(initCell_interface), DEFERRED, PASS:: init !Get the index of the nodes - PROCEDURE(getNodesCell_interface), DEFERRED, PASS:: getNodes + PROCEDURE(getNodesCell_interface), DEFERRED, PASS:: getNodes !Calculate random position on the cell - PROCEDURE(randPosVol_interface), DEFERRED, PASS:: randPos + PROCEDURE(randPosCell_interface), DEFERRED, PASS:: randPos !Obtain functions and values of cell natural functions - PROCEDURE(fPsi_interface), DEFERRED, PASS:: fPsi - PROCEDURE(dPsi_interface), DEFERRED, PASS:: dPsi - PROCEDURE(detJac_interface), DEFERRED, PASS:: detJac - PROCEDURE(invJac_interface), DEFERRED, PASS:: invJac + PROCEDURE(fPsi_interface), DEFERRED, NOPASS:: fPsi + PROCEDURE(dPsi_interface), DEFERRED, NOPASS:: dPsi + PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer + PROCEDURE(detJac_interface), DEFERRED, NOPASS:: detJac + PROCEDURE(invJac_interface), DEFERRED, NOPASS:: invJac + !Procedures to get specific values in the node + PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherElectricField + PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherMagneticField + !Compute K and F to solve PDE on the mesh + PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK + PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF + !Check if particle is inside the cell + PROCEDURE(inside_interface), DEFERRED, NOPASS:: inside + !Convert physical coordinates (r) into logical coordinates (Xi) + PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log + !Returns the neighbour element based on particle position outside the cell + PROCEDURE(neighbourElement_interface), DEFERRED, PASS:: neighbourElement !Scatter properties of particles on cell nodes PROCEDURE, PASS:: scatter + !Subroutine to find in which cell a particle is located + PROCEDURE, PASS:: findCell !Gather value and spatial derivative on the nodes at position Xi PROCEDURE, PASS, PRIVATE:: gatherF_scalar PROCEDURE, PASS, PRIVATE:: gatherF_array PROCEDURE, PASS, PRIVATE:: gatherDF_scalar GENERIC:: gatherF => gatherF_scalar, gatherF_array GENERIC:: gatherDF => gatherDF_scalar - !Procedures to get specific values in the node - PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherElectricField - PROCEDURE(gatherArray_interface), DEFERRED, PASS:: gatherMagneticField - !Compute K and F to solve PDE on the mesh - PROCEDURE(elemK_interface), DEFERRED, PASS:: elemK - PROCEDURE(elemF_interface), DEFERRED, PASS:: elemF - !Subroutines to find in which cell a particle is located - PROCEDURE, PASS:: findCell - PROCEDURE(inside_interface), DEFERRED, NOPASS:: inside - PROCEDURE(nextElement_interface), DEFERRED, PASS:: nextElement - !Convert physical coordinates (r) into logical coordinates (Xi) - PROCEDURE(phy2log_interface), DEFERRED, PASS:: phy2log END TYPE meshCell @@ -219,40 +226,44 @@ MODULE moduleMesh END FUNCTION getNodesCell_interface - PURE FUNCTION fPsi_interface(self, Xi, nNodes) RESULT(fPsi) + FUNCTION randPosCell_interface(self) RESULT(r) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self + REAL(8):: r(1:3) + + END FUNCTION randPosCell_interface + + PURE FUNCTION fPsi_interface(Xi, nNodes) RESULT(fPsi) REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) END FUNCTION fPsi_interface - PURE FUNCTION dPsi_interface(self, Xi, nNodes) RESULT(dPsi) - IMPORT:: meshCell - CLASS(meshCell), INTENT(in):: self + PURE FUNCTION dPsi_interface(Xi, nNodes) RESULT(dPsi) REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3, 1:nNodes) END FUNCTION dPsi_interface - PURE FUNCTION detJac_interface(self, Xi, nNodes, dPsi_in) RESULT(dJ) + PURE FUNCTION partialDer_interface(self, nNodes, dPsi) RESULT(pDer) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: dPsi(1:3, 1:nNodes) + REAL(8):: pDer(1:3, 1:3) + + END FUNCTION partialDer_interface + + PURE FUNCTION detJac_interface(pDer) RESULT(dJ) + REAL(8), INTENT(in):: pDer(1:3,1:3) REAL(8):: dJ END FUNCTION detJac_interface - PURE FUNCTION invJac_interface(self, Xi, nNodes, dPsi_in) RESULT(invJ) - IMPORT:: meshCell - CLASS(meshCell), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + PURE FUNCTION invJac_interface(pDer) RESULT(invJ) + REAL(8), INTENT(in):: pDer(1:3,1:3) REAL(8):: invJ(1:3,1:3) END FUNCTION invJac_interface @@ -282,13 +293,12 @@ MODULE moduleMesh END FUNCTION elemF_interface - SUBROUTINE nextElement_interface(self, Xi, nextElement) - IMPORT:: meshCell, meshElement - CLASS(meshCell), INTENT(in):: self + PURE FUNCTION inside_interface(Xi) RESULT(ins) + IMPORT:: meshCell REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + LOGICAL:: ins - END SUBROUTINE nextElement_interface + END FUNCTION inside_interface PURE FUNCTION phy2log_interface(self,r) RESULT(Xi) IMPORT:: meshCell @@ -298,19 +308,13 @@ MODULE moduleMesh END FUNCTION phy2log_interface - PURE FUNCTION inside_interface(Xi) RESULT(ins) - IMPORT:: meshCell - REAL(8), INTENT(in):: Xi(1:3) - LOGICAL:: ins - - END FUNCTION inside_interface - - FUNCTION randPosVol_interface(self) RESULT(r) - IMPORT:: meshCell + SUBROUTINE neighbourElement_interface(self, Xi, neighbourElement) + IMPORT:: meshCell, meshElement CLASS(meshCell), INTENT(in):: self - REAL(8):: r(1:3) + REAL(8), INTENT(in):: Xi(1:3) + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement - END FUNCTION randPosVol_interface + END SUBROUTINE neighbourElement_interface END INTERFACE @@ -332,11 +336,13 @@ MODULE moduleMesh TYPE(meshNodeCont), ALLOCATABLE:: nodes(:) !Array of cell elements TYPE(meshCellCont), ALLOCATABLE:: cells(:) + !PROCEDURES SPECIFIC OF FILE TYPE PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() PROCEDURE(readInitial_interface), POINTER, NOPASS:: readInitial => NULL() PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() CONTAINS + !GENERIC PROCEDURES PROCEDURE, PASS:: doCollisions END TYPE meshGeneric @@ -345,7 +351,6 @@ MODULE moduleMesh !Reads the mesh from a file SUBROUTINE readMesh_interface(self, filename) IMPORT meshGeneric - CLASS(meshGeneric), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename @@ -363,7 +368,6 @@ MODULE moduleMesh !Connects cell and edges to the mesh SUBROUTINE connectMesh_interface(self) IMPORT meshGeneric - CLASS(meshGeneric), INTENT(inout):: self END SUBROUTINE connectMesh_interface @@ -371,7 +375,6 @@ MODULE moduleMesh !Prints number of collisions in each cell SUBROUTINE printColl_interface(self, t) IMPORT meshGeneric - CLASS(meshGeneric), INTENT(inout):: self INTEGER, INTENT(in):: t @@ -388,28 +391,21 @@ MODULE moduleMesh REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV + !PROCEDURES SPECIFIC OF FILE TYPE PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() PROCEDURE(printAverage_interface), POINTER, PASS:: printAverage => NULL() CONTAINS + !GENERIC PROCEDURES PROCEDURE, PASS:: constructGlobalK END TYPE meshParticles ABSTRACT INTERFACE - !Perform Coulomb Scattering - SUBROUTINE doCoulomb_interface(self) - IMPORT meshParticles - - CLASS(meshParticles), INTENT(inout):: self - - END SUBROUTINE doCoulomb_interface - !Prints Species data SUBROUTINE printOutput_interface(self, t) IMPORT meshParticles - CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t @@ -418,21 +414,25 @@ MODULE moduleMesh !Prints EM info SUBROUTINE printEM_interface(self, t) IMPORT meshParticles - CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printEM_interface + !Perform Coulomb Scattering + SUBROUTINE doCoulomb_interface(self) + IMPORT meshParticles + CLASS(meshParticles), INTENT(inout):: self + + END SUBROUTINE doCoulomb_interface + !Prints average values SUBROUTINE printAverage_interface(self) IMPORT meshParticles - CLASS(meshParticles), INTENT(in):: self END SUBROUTINE printAverage_interface - END INTERFACE TYPE(meshParticles), TARGET:: mesh @@ -440,6 +440,7 @@ MODULE moduleMesh !Collision (MCC) mesh TYPE, EXTENDS(meshGeneric):: meshCollisions CONTAINS + !GENERIC PROCEDURES END TYPE meshCollisions @@ -448,7 +449,6 @@ MODULE moduleMesh ABSTRACT INTERFACE SUBROUTINE readMeshColl_interface(self, filename) IMPORT meshCollisions - CLASS(meshCollisions), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename @@ -577,12 +577,14 @@ MODULE moduleMesh REAL(8), INTENT(in):: valNodes(1:nNodes) REAL(8):: df(1:3) REAL(8):: dPsi(1:3, 1:nNodes) + REAL(8):: pDer(1:3,1:3) REAL(8):: dPsiR(1:3, 1:nNodes) REAL(8):: invJ(1:3, 1:3), detJ dPsi = self%dPsi(Xi, nNodes) - detJ = self%detJac(Xi, nNodes, dPsi) - invJ = self%invJac(Xi, nNodes, dPsi) + pDer = self%partialDer(nNodes, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) dPsiR = MATMUL(invJ, dPsi)/detJ df = (/ DOT_PRODUCT(dPsiR(1,:), valNodes), & DOT_PRODUCT(dPsiR(2,:), valNodes), & @@ -637,7 +639,7 @@ MODULE moduleMesh CLASS(particle), INTENT(inout), TARGET:: part CLASS(meshCell), OPTIONAL, INTENT(in):: oldCell REAL(8):: Xi(1:3) - CLASS(meshElement), POINTER:: nextElement + CLASS(meshElement), POINTER:: neighbourElement INTEGER:: sp Xi = self%phy2log(part%r) @@ -655,16 +657,16 @@ MODULE moduleMesh ELSE !If not, searches for a neighbour and repeats the process. - CALL self%nextElement(Xi, nextElement) + CALL self%neighbourElement(Xi, neighbourElement) !Defines the next step - SELECT TYPE(nextElement) + SELECT TYPE(neighbourElement) CLASS IS(meshCell) !Particle moved to new cell, repeat find procedure - CALL nextElement%findCell(part, self) + CALL neighbourElement%findCell(part, self) CLASS IS (meshEdge) !Particle encountered a surface, apply boundary - CALL nextElement%fBoundary(part%species%n)%apply(nextElement,part) + CALL neighbourElement%fBoundary(part%species%n)%apply(neighbourElement,part) !If particle is still inside the domain, call findCell IF (part%n_in) THEN @@ -709,7 +711,7 @@ MODULE moduleMesh LOGICAL:: found CLASS(meshCell), POINTER:: cell REAL(8), DIMENSION(1:3):: Xi - CLASS(meshElement), POINTER:: nextElement + CLASS(meshElement), POINTER:: neighbourElement INTEGER:: sp found = .FALSE. @@ -727,11 +729,11 @@ MODULE moduleMesh found = .TRUE. ELSE - CALL cell%nextElement(Xi, nextElement) - SELECT TYPE(nextElement) + CALL cell%neighbourElement(Xi, neighbourElement) + SELECT TYPE(neighbourElement) CLASS IS(meshCell) !Try next element - cell => nextElement + cell => neighbourElement CLASS DEFAULT !Should never happend, but just in case, stops loops From 7b7a5c45caacf7ca06ce6b5644609f2041589701 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 6 Jan 2023 15:18:04 +0100 Subject: [PATCH 077/203] Small improvement Very small improvement in performance. Still, partialDer takes too long to compute. Trying to find ways to improve it. --- src/modules/mesh/0D/moduleMesh0D.f90 | 93 +-- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 356 +++++----- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 412 ++++++----- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 686 +++++++++---------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 74 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 4 +- 6 files changed, 788 insertions(+), 837 deletions(-) diff --git a/src/modules/mesh/0D/moduleMesh0D.f90 b/src/modules/mesh/0D/moduleMesh0D.f90 index 5f89f20..133ae8e 100644 --- a/src/modules/mesh/0D/moduleMesh0D.f90 +++ b/src/modules/mesh/0D/moduleMesh0D.f90 @@ -6,7 +6,8 @@ MODULE moduleMesh0D TYPE, PUBLIC, EXTENDS(meshNode):: meshNode0D INTEGER:: n1 CONTAINS - PROCEDURE, PASS:: init => initNode0D + !meshNode DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initNode0D PROCEDURE, PASS:: getCoordinates => getCoord0D END TYPE meshNode0D @@ -14,20 +15,21 @@ MODULE moduleMesh0D TYPE, PUBLIC, EXTENDS(meshCell):: meshCell0D CLASS(meshNode), POINTER:: n1 CONTAINS - PROCEDURE, PASS:: init => initCell0D - PROCEDURE, PASS:: getNodes => getNodes0D - PROCEDURE, PASS:: randPos => randPos0D - PROCEDURE, PASS:: fPsi => fPsi0D - PROCEDURE, PASS:: dPsi => dPsi0D - PROCEDURE, PASS:: detJac => detJ0D - PROCEDURE, PASS:: invJac => invJ0D - PROCEDURE, PASS:: elemK => elemK0D - PROCEDURE, PASS:: elemF => elemF0D - PROCEDURE, PASS:: gatherElectricField => gatherEF0D - PROCEDURE, PASS:: gatherMagneticField => gatherMF0D - PROCEDURE, PASS:: phy2log => phy2log0D - PROCEDURE, NOPASS:: inside => inside0D - PROCEDURE, PASS:: nextElement => nextElement0D + PROCEDURE, PASS:: init => initCell0D + PROCEDURE, PASS:: getNodes => getNodes0D + PROCEDURE, PASS:: randPos => randPos0D + PROCEDURE, NOPASS:: fPsi => fPsi0D + PROCEDURE, NOPASS:: dPsi => dPsi0D + PROCEDURE, PASS:: partialDer => partialDer0D + PROCEDURE, NOPASS:: detJac => detJ0D + PROCEDURE, NOPASS:: invJac => invJ0D + PROCEDURE, PASS:: gatherElectricField => gatherEF0D + PROCEDURE, PASS:: gatherMagneticField => gatherMF0D + PROCEDURE, PASS:: elemK => elemK0D + PROCEDURE, PASS:: elemF => elemF0D + PROCEDURE, PASS:: phy2log => phy2log0D + PROCEDURE, NOPASS:: inside => inside0D + PROCEDURE, PASS:: neighbourElement => neighbourElement0D END TYPE meshCell0D @@ -89,6 +91,7 @@ MODULE moduleMesh0D END SUBROUTINE initCell0D + !Get the nodes of the volume PURE FUNCTION getNodes0D(self, nNodes) RESULT(n) IMPLICIT NONE @@ -100,6 +103,7 @@ MODULE moduleMesh0D END FUNCTION getNodes0D + !Calculate random position inside the volume FUNCTION randPos0D(self) RESULT(r) IMPLICIT NONE @@ -110,10 +114,9 @@ MODULE moduleMesh0D END FUNCTION randPos0D - PURE FUNCTION fPsi0D(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsi0D(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) @@ -122,10 +125,9 @@ MODULE moduleMesh0D END FUNCTION fPsi0D - PURE FUNCTION dPsi0D(self, Xi, nNodes) RESULT(dPsi) + PURE FUNCTION dPsi0D(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3,1:nNodes) @@ -134,31 +136,17 @@ MODULE moduleMesh0D END FUNCTION dPsi0D - PURE FUNCTION detJ0D(self, Xi, nNodes, dPsi_in) RESULT(dJ) + PURE FUNCTION partialDer0D(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) - REAL(8):: dJ + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) + REAL(8):: pDer(1:3, 1:3) - dJ = 0.D0 + pDer = 0.D0 - END FUNCTION detJ0D - - PURE FUNCTION invJ0D(self, Xi, nNodes, dPsi_in) RESULT(invJ) - IMPLICIT NONE - - CLASS(meshCell0D), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) - REAL(8):: invJ(1:3,1:3) - - invJ = 0.D0 - - END FUNCTION invJ0D + END FUNCTION partialDer0D PURE FUNCTION elemK0D(self, nNodes) RESULT(localK) IMPLICIT NONE @@ -234,15 +222,36 @@ MODULE moduleMesh0D END FUNCTION inside0D - SUBROUTINE nextElement0D(self, Xi, nextElement) + SUBROUTINE neighbourElement0D(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell0D), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement - nextElement => NULL() + neighbourElement => NULL() - END SUBROUTINE nextElement0D + END SUBROUTINE neighbourElement0D + + !COMMON FUNCTIONS + PURE FUNCTION detJ0D(pDer) RESULT(dJ) + IMPLICIT NONE + + REAL(8), INTENT(in):: pDer(1:3, 1:3) + REAL(8):: dJ + + dJ = 0.D0 + + END FUNCTION detJ0D + + PURE FUNCTION invJ0D(pDer) RESULT(invJ) + IMPLICIT NONE + + REAL(8), INTENT(in):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3,1:3) + + invJ = 0.D0 + + END FUNCTION invJ0D END MODULE moduleMesh0D diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 56d1b65..6a43ca1 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -14,7 +14,8 @@ MODULE moduleMesh1DCart !Element coordinates REAL(8):: x = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initNode1DCart + !meshNode DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initNode1DCart PROCEDURE, PASS:: getCoordinates => getCoord1DCart END TYPE meshNode1DCart @@ -25,6 +26,7 @@ MODULE moduleMesh1DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL() CONTAINS + !meshEdge DEFERRED PROCEDURES PROCEDURE, PASS:: init => initEdge1DCart PROCEDURE, PASS:: getNodes => getNodes1DCart PROCEDURE, PASS:: intersection => intersection1DCart @@ -32,27 +34,7 @@ MODULE moduleMesh1DCart END TYPE meshEdge1DCart - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell1DCart - CONTAINS - PROCEDURE, PASS:: detJac => detJ1DCart - PROCEDURE, PASS:: invJac => invJ1DCart - PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - - END TYPE meshCell1DCart - - ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx) - IMPORT meshCell1DCart - CLASS(meshCell1DCart), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1):: dx - - END SUBROUTINE partialDer_interface - - END INTERFACE - - TYPE, PUBLIC, EXTENDS(meshCell1DCart):: meshCell1DCartSegm + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell1DCartSegm !Element coordinates REAL(8):: x(1:2) !Connectivity to nodes @@ -61,20 +43,24 @@ MODULE moduleMesh1DCart CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS - PROCEDURE, PASS:: init => initCell1DCartSegm - PROCEDURE, PASS:: randPos => randPos1DCartSegm - PROCEDURE, PASS:: area => areaSegm - PROCEDURE, PASS:: fPsi => fPsiSegm - PROCEDURE, PASS:: dPsi => dPsiSegm - PROCEDURE, PASS:: partialDer => partialDerSegm - PROCEDURE, PASS:: elemK => elemKSegm - PROCEDURE, PASS:: elemF => elemFSegm - PROCEDURE, PASS:: gatherElectricField => gatherEFSegm - PROCEDURE, PASS:: gatherMagneticField => gatherMFSegm - PROCEDURE, NOPASS:: inside => insideSegm - PROCEDURE, PASS:: getNodes => getNodesSegm - PROCEDURE, PASS:: phy2log => phy2logSegm - PROCEDURE, PASS:: nextElement => nextElementSegm + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCell1DCartSegm + PROCEDURE, PASS:: getNodes => getNodesSegm + PROCEDURE, PASS:: randPos => randPos1DCartSegm + PROCEDURE, NOPASS:: fPsi => fPsiSegm + PROCEDURE, NOPASS:: dPsi => dPsiSegm + PROCEDURE, PASS:: partialDer => partialDerSegm + PROCEDURE, NOPASS:: detJac => detJ1DCart + PROCEDURE, NOPASS:: invJac => invJ1DCart + PROCEDURE, PASS:: gatherElectricField => gatherEFSegm + PROCEDURE, PASS:: gatherMagneticField => gatherMFSegm + PROCEDURE, PASS:: elemK => elemKSegm + PROCEDURE, PASS:: elemF => elemFSegm + PROCEDURE, NOPASS:: inside => insideSegm + PROCEDURE, PASS:: phy2log => phy2logSegm + PROCEDURE, PASS:: neighbourElement => neighbourElementSegm + !PARTICLUAR PROCEDURES + PROCEDURE, PASS, PRIVATE:: area => areaSegm END TYPE meshCell1DCartSegm @@ -219,7 +205,19 @@ MODULE moduleMesh1DCart END SUBROUTINE initCell1DCartSegm - !Calculates a random position in 1D volume + !Get nodes from 1D volume + PURE FUNCTION getNodesSegm(self, nNodes) RESULT(n) + IMPLICIT NONE + + CLASS(meshCell1DCartSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) + + n = (/ self%n1%n, self%n2%n /) + + END FUNCTION getNodesSegm + + !Random position in 1D volume FUNCTION randPos1DCartSegm(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -227,135 +225,63 @@ MODULE moduleMesh1DCart CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8):: r(1:3) REAL(8):: Xi(1:3) - REAL(8), ALLOCATABLE:: fPsi(:) + REAL(8):: fPsi(1:2) - Xi(1) = random(-1.D0, 1.D0) - Xi(2:3) = 0.D0 + Xi = 0.D0 + Xi(1) = random(-1.D0, 1.D0) fPsi = self%fPsi(Xi, 2) + + r = 0.D0 r(1) = DOT_PRODUCT(fPsi, self%x) END FUNCTION randPos1DCartSegm - !Computes element area - PURE SUBROUTINE areaSegm(self) - IMPLICIT NONE - - CLASS(meshCell1DCartSegm), INTENT(inout):: self - REAL(8):: l !element length - REAL(8):: fPsi(1:2) - REAL(8):: detJ - REAL(8):: Xi(1:3) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !1 point Gauss integral - Xi = 0.D0 - fPsi = self%fPsi(Xi, 2) - detJ = self%detJac(Xi, 2) - l = 2.D0*detJ - self%volume = l - self%arNodes = fPsi*l - - END SUBROUTINE areaSegm - !Computes element functions at point Xi - PURE FUNCTION fPsiSegm(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsiSegm(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) - fPsi(1) = 1.D0 - Xi(1) - fPsi(2) = 1.D0 + Xi(1) + fPsi = (/ 1.D0 - Xi(1), & + 1.D0 + Xi(1) /) - fPsi = fPsi * 5.D-1 + fPsi = fPsi * 0.50D0 END FUNCTION fPsiSegm - !Computes element derivative shape function at Xi - PURE FUNCTION dPsiSegm(self, Xi, nNodes) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiSegm(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 - dPsi(1, 1) = -5.D-1 - dPsi(1, 2) = 5.D-1 + dPsi(1, 1:2) = (/ -5.D-1, 5.D-1 /) END FUNCTION dPsiSegm - !Computes partial derivatives of coordinates - PURE SUBROUTINE partialDerSegm(self, nNodes, dPsi, dx) + !Partial derivative in global coordinates + PURE FUNCTION partialDerSegm(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self INTEGER, INTENT(in):: nNodes REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1):: dx + REAL(8):: pDer(1:3, 1:3) - dx(1) = DOT_PRODUCT(dPsi(1,:), self%x) + pDer = 0.D0 - END SUBROUTINE partialDerSegm + pDer(1,1) = DOT_PRODUCT(dPsi(1,1:2), self%x(1:2)) + pDer(2,2) = 1.D0 + pDer(3,3) = 1.D0 - !Computes local stiffness matrix - PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) - IMPLICIT NONE - - CLASS(meshCell1DCartSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:2) - REAL(8):: invJ(1:3,1:3), detJ - INTEGER:: l - - localK = 0.D0 - Xi = 0.D0 - DO l = 1, 3 - Xi(1) = corSeg(l) - dPsi = self%dPsi(Xi, 2) - detJ = self%detJac(Xi, 2, dPsi) - invJ = self%invJac(Xi, 2, dPsi) - localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & - wSeg(l)/detJ - - END DO - - END FUNCTION elemKSegm - - PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) - IMPLICIT NONE - - CLASS(meshCell1DCartSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: fPsi(1:2) - REAL(8):: detJ, f - REAL(8):: Xi(1:3) - INTEGER:: l - - localF = 0.D0 - Xi = 0.D0 - - DO l = 1, 3 - Xi(1) = corSeg(l) - detJ = self%detJac(Xi, 2) - fPsi = self%fPsi(Xi, 2) - f = DOT_PRODUCT(fPsi, source) - localF = localF + f*fPsi*wSeg(l)*detJ - - END DO - - END FUNCTION elemFSegm + END FUNCTION partialDerSegm PURE FUNCTION gatherEFSegm(self, Xi) RESULT(array) IMPLICIT NONE @@ -391,6 +317,68 @@ MODULE moduleMesh1DCart END FUNCTION gatherMFSegm + !Computes element local stiffness matrix + PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) + IMPLICIT NONE + + CLASS(meshCell1DCartSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:2) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l + + localK = 0.D0 + + Xi = 0.D0 + !Start 1D Gauss Quad Integral + DO l = 1, 3 + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + wSeg(l)/detJ + + END DO + + END FUNCTION elemKSegm + + !Computes the local source vector for a force f + PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshCell1DCartSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: fPsi(1:2) + REAL(8):: dPsi(1:3, 1:2), pDer(1:3, 1:3) + REAL(8):: Xi(1:3) + REAL(8):: detJ, f + INTEGER:: l + + localF = 0.D0 + + Xi = 0.D0 + !Start 1D Gauss Quad Integral + DO l = 1, 3 + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 2) + f = DOT_PRODUCT(fPsi, source) + localF = localF + f*fPsi*wSeg(l)*detJ + + END DO + + END FUNCTION elemFSegm + PURE FUNCTION insideSegm(Xi) RESULT(ins) IMPLICIT NONE @@ -402,101 +390,87 @@ MODULE moduleMesh1DCart END FUNCTION insideSegm - !Get nodes from 1D volume - PURE FUNCTION getNodesSegm(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell1DCartSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/ self%n1%n, self%n2%n /) - - END FUNCTION getNodesSegm - - PURE FUNCTION phy2logSegm(self, r) RESULT(xN) + PURE FUNCTION phy2logSegm(self, r) RESULT(Xi) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xN(1:3) + REAL(8):: Xi(1:3) - xN = 0.D0 - xN(1) = 2.D0*(r(1) - self%x(1))/(self%x(2) - self%x(1)) - 1.D0 + Xi = 0.D0 + + Xi(1) = 2.D0*(r(1) - self%x(1))/(self%x(2) - self%x(1)) - 1.D0 END FUNCTION phy2logSegm - !Get next element for a logical position Xi - SUBROUTINE nextElementSegm(self, Xi, nextElement) + !Get the next element for a logical position Xi + SUBROUTINE neighbourElementSegm(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement - NULLIFY(nextElement) + NULLIFY(neighbourElement) IF (Xi(1) < -1.D0) THEN - nextElement => self%e2 + neighbourElement => self%e2 ELSEIF (Xi(1) > 1.D0) THEN - nextElement => self%e1 + neighbourElement => self%e1 END IF - END SUBROUTINE nextElementSegm + END SUBROUTINE neighbourElementSegm - !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS - !Calculates a random position in 1D volume - !Computes the element Jacobian determinant - PURE FUNCTION detJ1DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) + !Computes element area + PURE SUBROUTINE areaSegm(self) IMPLICIT NONE - CLASS(meshCell1DCart), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) - REAL(8):: dPsi(1:3,1:nNodes) + CLASS(meshCell1DCartSegm), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:2), pDer(1:3, 1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:2) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !1D 1 point Gauss Quad Integral + Xi = 0.D0 + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 2) + !Computes total volume of the cell + self%volume = detJ*2.D0 + !Computes volume per node + self%arNodes = fPsi*self%volume + + END SUBROUTINE areaSegm + + !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS + !Computes element Jacobian determinant + PURE FUNCTION detJ1DCart(pDer) RESULT(dJ) + IMPLICIT NONE + + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: dJ - REAL(8):: dx(1) - IF (PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 2) - - END IF - - CALL self%partialDer(2, dPsi, dx) - dJ = dx(1) + dJ = pDer(1, 1) END FUNCTION detJ1DCart - !Computes the invers Jacobian - PURE FUNCTION invJ1DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) + !Computes element Jacobian inverse matrix (without determinant) + PURE FUNCTION invJ1DCart(pDer) RESULT(invJ) IMPLICIT NONE - CLASS(meshCell1DCart), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dx(1) - - IF (PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 2) - - END IF invJ = 0.D0 - CALL self%partialDer(2, dPsi, dx) - - invJ(1,1) = 1.D0/dx(1) + invJ(1, 1) = 1.D0/pDer(1, 1) + invJ(2, 2) = 1.D0 + invJ(3, 3) = 1.D0 END FUNCTION invJ1DCart diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 8b441be..8230901 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -8,13 +8,14 @@ MODULE moduleMesh1DRad IMPLICIT NONE REAL(8), PARAMETER:: corSeg(1:3) = (/ -DSQRT(3.D0/5.D0), 0.D0, DSQRT(3.D0/5.D0) /) - REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) + REAL(8), PARAMETER:: wSeg(1:3) = (/ 5.D0/9.D0 , 8.D0/9.D0, 5.D0/9.D0 /) TYPE, PUBLIC, EXTENDS(meshNode):: meshNode1DRad !Element coordinates REAL(8):: r = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initNode1DRad + !meshNode DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initNode1DRad PROCEDURE, PASS:: getCoordinates => getCoord1DRad END TYPE meshNode1DRad @@ -25,6 +26,7 @@ MODULE moduleMesh1DRad !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL() CONTAINS + !meshEdge DEFERRED PROCEDURES PROCEDURE, PASS:: init => initEdge1DRad PROCEDURE, PASS:: getNodes => getNodes1DRad PROCEDURE, PASS:: intersection => intersection1DRad @@ -32,28 +34,7 @@ MODULE moduleMesh1DRad END TYPE meshEdge1DRad - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell1DRad - CONTAINS - PROCEDURE, PASS:: detJac => detJ1DRad - PROCEDURE, PASS:: invJac => invJ1DRad - PROCEDURE(partialDer_interface), DEFERRED, PASS:: partialDer - - END TYPE meshCell1DRad - - ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx) - IMPORT meshCell1DRad - - CLASS(meshCell1DRad), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1):: dx - - END SUBROUTINE partialDer_interface - - END INTERFACE - - TYPE, PUBLIC, EXTENDS(meshCell1DRad):: meshCell1DRadSegm + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell1DRadSegm !Element coordinates REAL(8):: r(1:2) !Connectivity to nodes @@ -62,20 +43,24 @@ MODULE moduleMesh1DRad CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() REAL(8):: arNodes(1:2) CONTAINS - PROCEDURE, PASS:: init => initCell1DRadSegm - PROCEDURE, PASS:: randPos => randPos1DRadSeg - PROCEDURE, PASS:: area => areaRad - PROCEDURE, PASS:: fPsi => fPsiRad - PROCEDURE, PASS:: dPsi => dPsiRad - PROCEDURE, PASS:: partialDer => partialDerRad - PROCEDURE, PASS:: elemK => elemKRad - PROCEDURE, PASS:: elemF => elemFRad - PROCEDURE, PASS:: gatherElectricField => gatherEFRad - PROCEDURE, PASS:: gatherMagneticField => gatherMFRad - PROCEDURE, NOPASS:: inside => insideRad - PROCEDURE, PASS:: getNodes => getNodesRad - PROCEDURE, PASS:: phy2log => phy2logRad - PROCEDURE, PASS:: nextElement => nextElementRad + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCell1DRadSegm + PROCEDURE, PASS:: getNodes => getNodesSegm + PROCEDURE, PASS:: randPos => randPos1DRadSegm + PROCEDURE, NOPASS:: fPsi => fPsiSegm + PROCEDURE, NOPASS:: dPsi => dPsiSegm + PROCEDURE, PASS:: partialDer => partialDerSegm + PROCEDURE, NOPASS:: detJac => detJ1DRad + PROCEDURE, NOPASS:: invJac => invJ1DRad + PROCEDURE, PASS:: gatherElectricField => gatherEFSegm + PROCEDURE, PASS:: gatherMagneticField => gatherMFSegm + PROCEDURE, PASS:: elemK => elemKSegm + PROCEDURE, PASS:: elemF => elemFSegm + PROCEDURE, NOPASS:: inside => insideSegm + PROCEDURE, PASS:: phy2log => phy2logSegm + PROCEDURE, PASS:: neighbourElement => neighbourElementSegm + !PARTICLUAR PROCEDURES + PROCEDURE, PASS, PRIVATE:: area => areaSegm END TYPE meshCell1DRadSegm @@ -139,7 +124,6 @@ MODULE moduleMesh1DRad self%r = r1(1) self%normal = (/ 1.D0, 0.D0, 0.D0 /) - self%normal = self%normal/NORM2(self%normal) !Boundary index self%boundary => boundary(bt) @@ -221,8 +205,20 @@ MODULE moduleMesh1DRad END SUBROUTINE initCell1DRadSegm - !Calculates a random position in 1D volume - FUNCTION randPos1DRadSeg(self) RESULT(r) + !Get nodes from 1D volume + PURE FUNCTION getNodesSegm(self, nNodes) RESULT(n) + IMPLICIT NONE + + CLASS(meshCell1DRadSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) + + n = (/ self%n1%n, self%n2%n /) + + END FUNCTION getNodesSegm + + !Random position in 1D volume + FUNCTION randPos1DRadSegm(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -231,152 +227,63 @@ MODULE moduleMesh1DRad REAL(8):: Xi(1:3) REAL(8):: fPsi(1:2) - Xi(1) = random(-1.D0, 1.D0) - Xi(2:3) = 0.D0 + Xi = 0.D0 + Xi(1) = random(-1.D0, 1.D0) fPsi = self%fPsi(Xi, 2) + + r = 0.D0 r(1) = DOT_PRODUCT(fPsi, self%r) - END FUNCTION randPos1DRadSeg - - !Computes element area - PURE SUBROUTINE areaRad(self) - IMPLICIT NONE - - CLASS(meshCell1DRadSegm), INTENT(inout):: self - REAL(8):: l !element length - REAL(8):: fPsi(1:2), fPsi_node(1:2) - REAL(8):: r - REAL(8):: detJ - REAL(8):: Xi(1:3) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !1 point Gauss integral - Xi = 0.D0 - fPsi = self%fPsi(Xi, 2) - detJ = self%detJac(Xi, 2) - !Computes total volume of the cell - r = DOT_PRODUCT(fPsi, self%r) - l = 2.D0*detJ - self%volume = r*l - !Computes volume per node - Xi = (/-5.D-1, 0.D0, 0.D0/) - r = self%gatherF(Xi, 2, self%r) - self%arNodes(1) = fPsi(1)*r*l - Xi = (/ 5.D-1, 0.D0, 0.D0/) - r = self%gatherF(Xi, 2, self%r) - self%arNodes(2) = fPsi(2)*r*l - - END SUBROUTINE areaRad + END FUNCTION randPos1DRadSegm !Computes element functions at point Xi - PURE FUNCTION fPsiRad(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsiSegm(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) - fPsi(1) = 1.D0 - Xi(1) - fPsi(2) = 1.D0 + Xi(1) + fPsi = (/ 1.D0 - Xi(1), & + 1.D0 + Xi(1) /) - fPsi = fPsi * 5.D-1 + fPsi = fPsi * 0.50D0 - END FUNCTION fPsiRad + END FUNCTION fPsiSegm - !Computes element derivative shape function at Xi - PURE FUNCTION dPsiRad(self, Xi, nNodes) RESULT(dPsi) + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiSegm(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3,1:nNodes) dPsi = 0.D0 - dPsi(1, 1) = -5.D-1 - dPsi(1, 2) = 5.D-1 + dPsi(1, 1:2) = (/ -5.D-1, 5.D-1 /) - END FUNCTION dPsiRad + END FUNCTION dPsiSegm - !Computes partial derivatives of coordinates - PURE SUBROUTINE partialDerRad(self, nNodes, dPsi, dx) + !Partial derivative in global coordinates + PURE FUNCTION partialDerSegm(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self INTEGER, INTENT(in):: nNodes REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1):: dx + REAL(8):: pDer(1:3, 1:3) - dx(1) = DOT_PRODUCT(dPsi(1,:), self%r) + pDer = 0.D0 - END SUBROUTINE partialDerRad + pDer(1,1) = DOT_PRODUCT(dPsi(1,1:2), self%r(1:2)) + pDer(2,2) = 1.D0 + pDer(3,3) = 1.D0 - !Computes local stiffness matrix - PURE FUNCTION elemKRad(self, nNodes) RESULT(localK) - USE moduleConstParam, ONLY: PI2 - IMPLICIT NONE + END FUNCTION partialDerSegm - CLASS(meshCell1DRadSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:2) - REAL(8):: invJ(1:3,1:3), detJ - REAL(8):: r, fPsi(1:2) - INTEGER:: l - - localK = 0.D0 - Xi = 0.D0 - DO l = 1, 3 - Xi(1) = corSeg(l) - dPsi = self%dPsi(Xi, 2) - detJ = self%detJac(Xi, 2, dPsi) - invJ = self%invJac(Xi, 2, dPsi) - fPsi = self%fPsi(Xi, 2) - r = DOT_PRODUCT(fPsi, self%r) - localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & - r*wSeg(l)/detJ - - END DO - - localK = localK*PI2 - - END FUNCTION elemKRad - - PURE FUNCTION elemFRad(self, nNodes, source) RESULT(localF) - USE moduleConstParam, ONLY: PI2 - IMPLICIT NONE - - CLASS(meshCell1DRadSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: fPsi(1:2) - REAL(8):: detJ, f, r - REAL(8):: Xi(1:3) - INTEGER:: l - - localF = 0.D0 - Xi = 0.D0 - - DO l = 1, 3 - Xi(1) = corSeg(l) - detJ = self%detJac(Xi, 2) - fPsi = self%fPsi(Xi, 2) - r = DOT_PRODUCT(fPsi, self%r) - f = DOT_PRODUCT(fPsi, source) - localF = localF + f*fPsi*r*wSeg(l)*detJ - - END DO - - END FUNCTION elemFRad - - PURE FUNCTION gatherEFRad(self, Xi) RESULT(array) + PURE FUNCTION gatherEFSegm(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) @@ -388,9 +295,9 @@ MODULE moduleMesh1DRad array = -self%gatherDF(Xi, 2, phi) - END FUNCTION gatherEFRad + END FUNCTION gatherEFSegm - PURE FUNCTION gatherMFRad(self, Xi) RESULT(array) + PURE FUNCTION gatherMFSegm(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) @@ -408,9 +315,79 @@ MODULE moduleMesh1DRad array = self%gatherF(Xi, 2, B) - END FUNCTION gatherMFRad + END FUNCTION gatherMFSegm - PURE FUNCTION insideRad(Xi) RESULT(ins) + !Computes element local stiffness matrix + PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell1DRadSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:2) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: r + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l + + localK = 0.D0 + + Xi = 0.D0 + !Start 1D Gauss Quad Integral + DO l = 1, 3 + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + r = self%gatherF(Xi, 4, self%r) + localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & + RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + r*wSeg(l)/detJ + + END DO + localK = localK*PI2 + + END FUNCTION elemKSegm + + !Computes the local source vector for a force f + PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) + USE moduleConstParam, ONLY: PI2 + IMPLICIT NONE + + CLASS(meshCell1DRadSegm), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: fPsi(1:2) + REAL(8):: dPsi(1:3, 1:2), pDer(1:3, 1:3) + REAL(8):: Xi(1:3) + REAL(8):: detJ, f + REAL(8):: r + INTEGER:: l + + localF = 0.D0 + + Xi = 0.D0 + !Start 1D Gauss Quad Integral + DO l = 1, 3 + Xi(1) = corSeg(l) + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 2) + r = DOT_PRODUCT(fPsi, self%r) + f = DOT_PRODUCT(fPsi, source) + localF = localF + r*f*fPsi*wSeg(l)*detJ + + END DO + localF = localF*PI2 + + END FUNCTION elemFSegm + + PURE FUNCTION insideSegm(Xi) RESULT(ins) IMPLICIT NONE REAL(8), INTENT(in):: Xi(1:3) @@ -419,102 +396,97 @@ MODULE moduleMesh1DRad ins = Xi(1) >=-1.D0 .AND. & Xi(1) <= 1.D0 - END FUNCTION insideRad + END FUNCTION insideSegm - !Get nodes from 1D volume - PURE FUNCTION getNodesRad(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell1DRadSegm), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/ self%n1%n, self%n2%n /) - - END FUNCTION getNodesRad - - PURE FUNCTION phy2logRad(self, r) RESULT(xN) + PURE FUNCTION phy2logSegm(self, r) RESULT(Xi) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) - REAL(8):: xN(1:3) + REAL(8):: Xi(1:3) - xN = 0.D0 - xN(1) = 2.D0*(r(1) - self%r(1))/(self%r(2) - self%r(1)) - 1.D0 + Xi = 0.D0 - END FUNCTION phy2logRad + Xi(1) = 2.D0*(r(1) - self%r(1))/(self%r(2) - self%r(1)) - 1.D0 - !Get next element for a logical position Xi - SUBROUTINE nextElementRad(self, Xi, nextElement) + END FUNCTION phy2logSegm + + !Get the next element for a logical position Xi + SUBROUTINE neighbourElementSegm(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement - NULLIFY(nextElement) + NULLIFY(neighbourElement) IF (Xi(1) < -1.D0) THEN - nextElement => self%e2 + neighbourElement => self%e2 ELSEIF (Xi(1) > 1.D0) THEN - nextElement => self%e1 + neighbourElement => self%e1 END IF - END SUBROUTINE nextElementRad + END SUBROUTINE neighbourElementSegm - !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS - !Computes the element Jacobian determinant - PURE FUNCTION detJ1DRad(self, Xi, nNodes, dPsi_in) RESULT(dJ) + !Computes element area + PURE SUBROUTINE areaSegm(self) + USE moduleConstParam, ONLY: PI IMPLICIT NONE - CLASS(meshCell1DRad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) - REAL(8):: dPsi(1:3,1:nNodes) + CLASS(meshCell1DRadSegm), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:2), pDer(1:3, 1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:2) + REAL(8):: r + + self%volume = 0.D0 + self%arNodes = 0.D0 + !1D 1 point Gauss Quad Integral + Xi = 0.D0 + dPsi = self%dPsi(Xi, 2) + pDer = self%partialDer(2, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 2) + !Computes total volume of the cell + r = DOT_PRODUCT(fPsi, self%r) + self%volume = r*detJ*2.D0*PI !2PI + !Computes volume per node + Xi = (/-5.D-1, 0.D0, 0.D0/) + r = self%gatherF(Xi, 2, self%r) + self%arNodes(1) = fPsi(1)*self%volume + Xi = (/ 5.D-1, 0.D0, 0.D0/) + r = self%gatherF(Xi, 2, self%r) + self%arNodes(2) = fPsi(2)*self%volume + + END SUBROUTINE areaSegm + + !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS + !Computes element Jacobian determinant + PURE FUNCTION detJ1DRad(pDer) RESULT(dJ) + IMPLICIT NONE + + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: dJ - REAL(8):: dx(1) - IF (PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 2) - - END IF - - CALL self%partialDer(nNodes, dPsi, dx) - dJ = dx(1) + dJ = pDer(1, 1) END FUNCTION detJ1DRad - !Computes the invers Jacobian - PURE FUNCTION invJ1DRad(self, Xi, nNodes, dPsi_in) RESULT(invJ) + !Computes element Jacobian inverse matrix (without determinant) + PURE FUNCTION invJ1DRad(pDer) RESULT(invJ) IMPLICIT NONE - CLASS(meshCell1DRad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dx(1) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3) - IF (PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 2) - - END IF - invJ = 0.D0 - CALL self%partialDer(nNodes, dPsi, dx) - - invJ(1,1) = 1.D0/dx(1) + invJ(1, 1) = 1.D0/pDer(1, 1) + invJ(2, 2) = 1.D0 + invJ(3, 3) = 1.D0 END FUNCTION invJ1DRad diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 2ccde7d..eab1266 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -19,7 +19,8 @@ MODULE moduleMesh2DCart !Element coordinates REAL(8):: x = 0.D0, y = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initNode2DCart + !meshNode DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initNode2DCart PROCEDURE, PASS:: getCoordinates => getCoord2DCart END TYPE meshNode2DCart @@ -30,35 +31,16 @@ MODULE moduleMesh2DCart !Connectivity to nodes CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() CONTAINS - PROCEDURE, PASS:: init => initEdge2DCart - PROCEDURE, PASS:: getNodes => getNodes2DCart + !meshEdge DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initEdge2DCart + PROCEDURE, PASS:: getNodes => getNodes2DCart PROCEDURE, PASS:: intersection => intersection2DCartEdge - PROCEDURE, PASS:: randPos => randPosEdge + PROCEDURE, PASS:: randPos => randPosEdge END TYPE meshEdge2DCart - TYPE, PUBLIC, ABSTRACT, EXTENDS(meshCell):: meshCell2DCart - CONTAINS - PROCEDURE, PASS:: detJac => detJ2DCart - PROCEDURE, PASS:: invJac => invJ2DCart - PROCEDURE(partialDer_interface), DEFERRED, PASS, PRIVATE:: partialDer - - END TYPE meshCell2DCart - - ABSTRACT INTERFACE - PURE SUBROUTINE partialDer_interface(self, nNodes, dPsi, dx, dy) - IMPORT meshCell2DCart - CLASS(meshCell2DCart), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy - - END SUBROUTINE partialDer_interface - - END INTERFACE - !Quadrilateral volume element - TYPE, PUBLIC, EXTENDS(meshCell2DCart):: meshCell2DCartQuad + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell2DCartQuad !Element coordinates REAL(8):: x(1:4) = 0.D0, y(1:4) = 0.D0 !Connectivity to nodes @@ -68,25 +50,29 @@ MODULE moduleMesh2DCart REAL(8):: arNodes(1:4) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initCellQuad2DCart - PROCEDURE, PASS:: randPos => randPosCellQuad - PROCEDURE, PASS:: area => areaQuad - PROCEDURE, PASS:: fPsi => fPsiQuad - PROCEDURE, PASS:: dPsi => dPsiQuad - PROCEDURE, PASS, PRIVATE:: partialDer => partialDerQuad - PROCEDURE, PASS:: elemK => elemKQuad - PROCEDURE, PASS:: elemF => elemFQuad - PROCEDURE, PASS:: gatherElectricField => gatherEFQuad - PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad - PROCEDURE, NOPASS:: inside => insideQuad - PROCEDURE, PASS:: getNodes => getNodesQuad - PROCEDURE, PASS:: phy2log => phy2logQuad - PROCEDURE, PASS:: nextElement => nextElementQuad + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCellQuad2DCart + PROCEDURE, PASS:: getNodes => getNodesQuad + PROCEDURE, PASS:: randPos => randPosCellQuad + PROCEDURE, NOPASS:: fPsi => fPsiQuad + PROCEDURE, NOPASS:: dPsi => dPsiQuad + PROCEDURE, PASS:: partialDer => partialDerQuad + PROCEDURE, NOPASS:: detJac => detJ2DCart + PROCEDURE, NOPASS:: invJac => invJ2DCart + PROCEDURE, PASS:: gatherElectricField => gatherEFQuad + PROCEDURE, PASS:: gatherMagneticField => gatherMFQuad + PROCEDURE, PASS:: elemK => elemKQuad + PROCEDURE, PASS:: elemF => elemFQuad + PROCEDURE, NOPASS:: inside => insideQuad + PROCEDURE, PASS:: phy2log => phy2logQuad + PROCEDURE, PASS:: neighbourElement => neighbourElementQuad + !PARTICLUAR PROCEDURES + PROCEDURE, PASS, PRIVATE:: area => areaQuad END TYPE meshCell2DCartQuad !Triangular volume element - TYPE, PUBLIC, EXTENDS(meshCell2DCart):: meshCell2DCartTria + TYPE, PUBLIC, EXTENDS(meshCell):: meshCell2DCartTria !Element coordinates REAL(8):: x(1:3) = 0.D0, y(1:3) = 0.D0 !Connectivity to nodes @@ -96,20 +82,24 @@ MODULE moduleMesh2DCart REAL(8):: arNodes(1:3) = 0.D0 CONTAINS - PROCEDURE, PASS:: init => initCellTria2DCart - PROCEDURE, PASS:: randPos => randPosCellTria - PROCEDURE, PASS:: area => areaTria - PROCEDURE, PASS:: fPsi => fPsiTria - PROCEDURE, PASS:: dPsi => dPsiTria - PROCEDURE, PASS, PRIVATE:: partialDer => partialDerTria - PROCEDURE, PASS:: elemK => elemKTria - PROCEDURE, PASS:: elemF => elemFTria - PROCEDURE, PASS:: gatherElectricField => gatherEFTria - PROCEDURE, PASS:: gatherMagneticField => gatherMFTria - PROCEDURE, NOPASS:: inside => insideTria - PROCEDURE, PASS:: getNodes => getNodesTria - PROCEDURE, PASS:: phy2log => phy2logTria - PROCEDURE, PASS:: nextElement => nextElementTria + !meshCell DEFERRED PROCEDURES + PROCEDURE, PASS:: init => initCellTria2DCart + PROCEDURE, PASS:: getNodes => getNodesTria + PROCEDURE, PASS:: randPos => randPosCellTria + PROCEDURE, NOPASS:: fPsi => fPsiTria + PROCEDURE, NOPASS:: dPsi => dPsiTria + PROCEDURE, PASS:: partialDer => partialDerTria + PROCEDURE, NOPASS:: detJac => detJ2DCart + PROCEDURE, NOPASS:: invJac => invJ2DCart + PROCEDURE, PASS:: gatherElectricField => gatherEFTria + PROCEDURE, PASS:: gatherMagneticField => gatherMFTria + PROCEDURE, PASS:: elemK => elemKTria + PROCEDURE, PASS:: elemF => elemFTria + PROCEDURE, NOPASS:: inside => insideTria + PROCEDURE, PASS:: phy2log => phy2logTria + PROCEDURE, PASS:: neighbourElement => neighbourElementTria + !PARTICULAR PROCEDURES + PROCEDURE, PASS, PRIVATE:: area => areaTria END TYPE meshCell2DCartTria @@ -175,6 +165,7 @@ MODULE moduleMesh2DCart r2 = self%n2%getCoordinates() self%x = (/r1(1), r2(1)/) self%y = (/r1(2), r2(2)/) + self%weight = 1.D0 !Normal vector self%normal = (/ -(self%y(2)-self%y(1)), & self%x(2)-self%x(1) , & @@ -290,84 +281,17 @@ MODULE moduleMesh2DCart END SUBROUTINE initCellQuad2DCart - !Computes element area - PURE SUBROUTINE areaQuad(self) - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(inout):: self - REAL(8):: Xi(1:3) - REAL(8):: detJ - REAL(8):: fPsi(1:4) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !2D 1 point Gauss Quad Integral - Xi = 0.D0 - detJ = self%detJac(Xi, 4)*4.D0 !4 - fPsi = self%fPsi(Xi, 4) - self%volume = detJ - self%arNodes = fPsi*detJ - - END SUBROUTINE areaQuad - - !Computes element functions in point Xi - PURE FUNCTION fPsiQuad(self, Xi, nNodes) RESULT(fPsi) - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8):: fPsi(1:nNodes) - - fPsi(1) = (1.D0-Xi(1)) * (1.D0-Xi(2)) - fPsi(2) = (1.D0+Xi(1)) * (1.D0-Xi(2)) - fPsi(3) = (1.D0+Xi(1)) * (1.D0+Xi(2)) - fPsi(4) = (1.D0-Xi(1)) * (1.D0+Xi(2)) - - fPsi = fPsi*0.25D0 - - END FUNCTION fPsiQuad - - !Derivative element function at coordinates Xi - PURE FUNCTION dPsiQuad(self, Xi, nNodes) RESULT(dPsi) - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8):: dPsi(1:3,1:nNodes) - - dPsi = 0.D0 - - dPsi(1,:) = (/ -(1.D0 - Xi(2)), & - (1.D0 - Xi(2)), & - (1.D0 + Xi(2)), & - -(1.D0 + Xi(2)) /) - - dPsi(2,:) = (/ -(1.D0 - Xi(1)), & - -(1.D0 + Xi(1)), & - (1.D0 + Xi(1)), & - (1.D0 - Xi(1)) /) - - dPsi = dPsi * 0.25D0 - - END FUNCTION dPsiQuad - - !Partial derivative in global coordinates - PURE SUBROUTINE partialDerQuad(self, nNodes, dPsi, dx, dy) + !Get nodes from quadrilateral element + PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy + INTEGER:: n(1:nNodes) - dx = (/ DOT_PRODUCT(dPsi(1,1:4),self%x(1:4)), & - DOT_PRODUCT(dPsi(2,1:4),self%x(1:4)) /) - dy = (/ DOT_PRODUCT(dPsi(1,1:4),self%y(1:4)), & - DOT_PRODUCT(dPsi(2,1:4),self%y(1:4)) /) + n = (/ self%n1%n, self%n2%n, self%n3%n, self%n4%n /) - END SUBROUTINE partialDerQuad + END FUNCTION getNodesQuad !Random position in quadrilateral volume FUNCTION randPosCellQuad(self) RESULT(r) @@ -379,78 +303,77 @@ MODULE moduleMesh2DCart REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) + Xi = 0.D0 Xi(1) = random(-1.D0, 1.D0) Xi(2) = random(-1.D0, 1.D0) - Xi(3) = 0.D0 fPsi = self%fPsi(Xi, 4) + r = 0.D0 r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) - r(3) = 0.D0 END FUNCTION randPosCellQuad - !Computes element local stiffness matrix - PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) + !Computes element functions in point Xi + PURE FUNCTION fPsiQuad(Xi, nNodes) RESULT(fPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: fPsi(1:nNodes) + + fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0-Xi(2)), & + (1.D0+Xi(1)) * (1.D0+Xi(2)), & + (1.D0-Xi(1)) * (1.D0+Xi(2)) /) + + fPsi = fPsi * 0.25D0 + + END FUNCTION fPsiQuad + + !Derivative element function at coordinates Xi + PURE FUNCTION dPsiQuad(Xi, nNodes) RESULT(dPsi) + IMPLICIT NONE + + REAL(8), INTENT(in):: Xi(1:3) + INTEGER, INTENT(in):: nNodes + REAL(8):: dPsi(1:3,1:nNodes) + + dPsi = 0.D0 + + dPsi(1, 1:4) = (/ -(1.D0 - Xi(2)), & + (1.D0 - Xi(2)), & + (1.D0 + Xi(2)), & + -(1.D0 + Xi(2)) /) + + dPsi(2, 1:4) = (/ -(1.D0 - Xi(1)), & + -(1.D0 + Xi(1)), & + (1.D0 + Xi(1)), & + (1.D0 - Xi(1)) /) + + dPsi = dPsi * 0.25D0 + + END FUNCTION dPsiQuad + + !Partial derivative in global coordinates + PURE FUNCTION partialDerQuad(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:3,1:4) - REAL(8):: invJ(1:3,1:3), detJ - INTEGER:: l, m + REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) + REAL(8):: pDer(1:3, 1:3) - localK=0.D0 - Xi=0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 3 - Xi(2) = corQuad(l) - DO m = 1, 3 - Xi(1) = corQuad(m) - fPsi = self%fPsi(Xi, 4) - dPsi = self%dPsi(Xi, 4) - detJ = self%detJac(Xi, 4, dPsi) - invJ = self%invJac(Xi, 4, dPsi) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & - MATMUL(invJ,dPsi))* & - wQuad(l)*wQuad(m)/detJ + pDer = 0.D0 - END DO - END DO + pDer(1, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:4),self%x(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%x(1:4)) /) + pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:4),self%y(1:4)), & + DOT_PRODUCT(dPsi(2,1:4),self%y(1:4)) /) + pDer(3,3) = 1.D0 - END FUNCTION elemKQuad - - !Computes the local source vector for a force f - PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4) - REAL(8):: detJ, f - INTEGER:: l, m - - localF = 0.D0 - Xi = 0.D0 - DO l=1, 3 - Xi(1) = corQuad(l) - DO m = 1, 3 - Xi(2) = corQuad(m) - detJ = self%detJac(Xi, 4) - fPsi = self%fPsi(Xi, 4) - f = DOT_PRODUCT(fPsi,source) - localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ - - END DO - END DO - - END FUNCTION elemFQuad + END FUNCTION partialDerQuad PURE FUNCTION gatherEFQuad(self, Xi) RESULT(array) IMPLICIT NONE @@ -494,6 +417,75 @@ MODULE moduleMesh2DCart END FUNCTION gatherMFQuad + !Computes element local stiffness matrix + PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) + IMPLICIT NONE + + CLASS(meshCell2DCartQuad), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: r + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l, m + + localK = 0.D0 + + Xi = 0.D0 + !Start 2D Gauss Quad Integral + DO l = 1, 3 + Xi(2) = corQuad(l) + DO m = 1, 3 + Xi(1) = corQuad(m) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & + wQuad(l)*wQuad(m)/detJ + + END DO + END DO + + END FUNCTION elemKQuad + + !Computes the local source vector for a force f + PURE FUNCTION elemFQuad(self, nNodes, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshCell2DCartQuad), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: fPsi(1:4) + REAL(8):: dPsi(1:3, 1:4) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: detJ, f + INTEGER:: l, m + + localF = 0.D0 + + Xi = 0.D0 + DO l = 1, 3 + Xi(1) = corQuad(l) + DO m = 1, 3 + Xi(2) = corQuad(m) + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 4) + f = DOT_PRODUCT(fPsi,source) + localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ + + END DO + END DO + + END FUNCTION elemFQuad + !Checks if a particle is inside a quad element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -506,18 +498,6 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad - !Gets nodes from quadrilateral element - PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell2DCartQuad), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) - - END FUNCTION getNodesQuad - !Transforms physical coordinates to element coordinates PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE @@ -527,6 +507,7 @@ MODULE moduleMesh2DCart REAL(8):: Xi(1:3) REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) + REAL(8):: pDer(1:3, 1:3) REAL(8):: conv !Iterative newton method to transform coordinates @@ -535,7 +516,9 @@ MODULE moduleMesh2DCart DO WHILE(conv > 1.D-2) dPsi = self%dPsi(XiO, 4) - invJ = self%invJac(XiO, 4, dPsi) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%x), & DOT_PRODUCT(fPsi,self%y), & @@ -550,31 +533,56 @@ MODULE moduleMesh2DCart END FUNCTION phy2logQuad !Gets the next element for a logical position Xi - SUBROUTINE nextElementQuad(self, Xi, nextElement) + SUBROUTINE neighbourElementQuad(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement REAL(8):: XiArray(1:4) INTEGER:: nextInt XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) nextInt = MAXLOC(XiArray,1) !Selects the higher value of directions and searches in that direction - NULLIFY(nextElement) + NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) - nextElement => self%e1 + neighbourElement => self%e1 CASE (2) - nextElement => self%e2 + neighbourElement => self%e2 CASE (3) - nextElement => self%e3 + neighbourElement => self%e3 CASE (4) - nextElement => self%e4 + neighbourElement => self%e4 END SELECT - END SUBROUTINE nextElementQuad + END SUBROUTINE neighbourElementQuad + + !Computes element area + PURE SUBROUTINE areaQuad(self) + IMPLICIT NONE + + CLASS(meshCell2DCartQuad), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:4) + REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + Xi = 0.D0 + dPsi = self%dPsi(Xi, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 4) + !Computes total volume of the cell + self%volume = detJ + !Computes volume per node + self%arNodes = fPsi*detJ + + END SUBROUTINE areaQuad !TRIA ELEMENT !Init tria element @@ -617,6 +625,18 @@ MODULE moduleMesh2DCart END SUBROUTINE initCellTria2DCart + !Gets node indexes from triangular element + PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) + IMPLICIT NONE + + CLASS(meshCell2DCartTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + INTEGER:: n(1:nNodes) + + n = (/self%n1%n, self%n2%n, self%n3%n /) + + END FUNCTION getNodesTria + !Random position in quadrilateral volume FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom @@ -639,31 +659,10 @@ MODULE moduleMesh2DCart END FUNCTION randPosCellTria - !Calculates area for triangular element - PURE SUBROUTINE areaTria(self) - IMPLICIT NONE - - CLASS(meshCell2DCartTria), INTENT(inout):: self - REAL(8):: Xi(1:3) - REAL(8):: detJ - REAL(8):: fPsi(1:3) - - self%volume = 0.D0 - self%arNodes = 0.D0 - !2D 1 point Gauss Quad Integral - Xi = (/1.D0/3.D0, 1.D0/3.D0, 0.D0 /) - detJ = self%detJac(Xi, 4)/2.D0 - fPsi = self%fPsi(Xi, 4) - self%volume = detJ - self%arNodes = fPsi*detJ - - END SUBROUTINE areaTria - !Shape functions for triangular element - PURE FUNCTION fPsiTria(self, Xi, nNodes) RESULT(fPsi) + PURE FUNCTION fPsiTria(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE - CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) @@ -675,10 +674,9 @@ MODULE moduleMesh2DCart END FUNCTION fPsiTria !Derivative element function at coordinates Xi - PURE FUNCTION dPsiTria(self, Xi, nNodes) RESULT(dPsi) + PURE FUNCTION dPsiTria(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE - CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) INTEGER, INTENT(in):: nNodes REAL(8):: dPsi(1:3,1:nNodes) @@ -690,76 +688,22 @@ MODULE moduleMesh2DCart END FUNCTION dPsiTria - PURE SUBROUTINE partialDerTria(self, nNodes, dPsi, dx, dy) + PURE FUNCTION partialDerTria(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self INTEGER, INTENT(in):: nNodes REAL(8), INTENT(in):: dPsi(1:3,1:nNodes) - REAL(8), INTENT(out), DIMENSION(1:2):: dx, dy + REAL(8):: pDer(1:3, 1:3) - dx = (/ DOT_PRODUCT(dPsi(1,:),self%x), & - DOT_PRODUCT(dPsi(2,:),self%x) /) - dy = (/ DOT_PRODUCT(dPsi(1,:),self%y), & - DOT_PRODUCT(dPsi(2,:),self%y) /) + pDer = 0.D0 - END SUBROUTINE partialDerTria + pDer(1, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%x(1:3)), & + DOT_PRODUCT(dPsi(2,1:3),self%x(1:3)) /) + pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%y(1:3)), & + DOT_PRODUCT(dPsi(2,1:3),self%y(1:3)) /) - !Computes element local stiffness matrix - PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) - IMPLICIT NONE - - CLASS(meshCell2DCartTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8):: localK(1:nNodes,1:nNodes) - REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:3), dPsi(1:3,1:3) - REAL(8):: invJ(1:3,1:3), detJ - INTEGER:: l - - localK=0.D0 - Xi=0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 4 - Xi(1) = Xi1Tria(l) - Xi(2) = Xi2Tria(l) - dPsi = self%dPsi(Xi, 3) - detJ = self%detJac(Xi, 3, dPsi) - invJ = self%invJac(Xi, 3, dPsi) - fPsi = self%fPsi(Xi, 3) - localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ - - END DO - - END FUNCTION elemKTria - - !Computes element local source vector - PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) - IMPLICIT NONE - - CLASS(meshCell2DCartTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in):: source(1:nNodes) - REAL(8):: localF(1:nNodes) - REAL(8):: fPsi(1:3) - REAL(8):: Xi(1:3) - REAL(8):: detJ, f - INTEGER:: l - - localF = 0.D0 - Xi = 0.D0 - !Start 2D Gauss Quad Integral - DO l=1, 4 - Xi(1) = Xi1Tria(l) - Xi(2) = Xi2Tria(l) - detJ = self%detJac(Xi, 3) - fPsi = self%fPsi(Xi, 3) - f = DOT_PRODUCT(fPsi,source) - localF = localF + f*fPsi*wTria(l)*detJ - - END DO - - END FUNCTION elemFTria + END FUNCTION partialDerTria PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) IMPLICIT NONE @@ -799,6 +743,66 @@ MODULE moduleMesh2DCart END FUNCTION gatherMFTria + !Computes element local stiffness matrix + PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) + IMPLICIT NONE + + CLASS(meshCell2DCartTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8):: localK(1:nNodes,1:nNodes) + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3,1:3) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3,1:3), detJ + INTEGER:: l + + localK=0.D0 + Xi=0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + invJ = self%invJac(pDer) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ + + END DO + + END FUNCTION elemKTria + + !Computes element local source vector + PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) + IMPLICIT NONE + + CLASS(meshCell2DCartTria), INTENT(in):: self + INTEGER, INTENT(in):: nNodes + REAL(8), INTENT(in):: source(1:nNodes) + REAL(8):: localF(1:nNodes) + REAL(8):: fPsi(1:3) + REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) + REAL(8):: Xi(1:3) + REAL(8):: detJ, f + INTEGER:: l + + localF = 0.D0 + Xi = 0.D0 + !Start 2D Gauss Quad Integral + DO l=1, 4 + Xi(1) = Xi1Tria(l) + Xi(2) = Xi2Tria(l) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 3) + f = DOT_PRODUCT(fPsi,source) + localF = localF + f*fPsi*wTria(l)*detJ + + END DO + + END FUNCTION elemFTria + PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE @@ -811,18 +815,6 @@ MODULE moduleMesh2DCart END FUNCTION insideTria - !Gets node indexes from triangular element - PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) - IMPLICIT NONE - - CLASS(meshCell2DCartTria), INTENT(in):: self - INTEGER, INTENT(in):: nNodes - INTEGER:: n(1:nNodes) - - n = (/self%n1%n, self%n2%n, self%n3%n /) - - END FUNCTION getNodesTria - !Transforms physical coordinates to element coordinates PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE @@ -830,96 +822,94 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: invJ(1:3,1:3), detJ REAL(8):: deltaR(1:3) - REAL(8):: dPsi(1:3,1:3) + REAL(8):: dPsi(1:3, 1:3) + REAL(8):: pDer(1:3, 1:3) + REAL(8):: invJ(1:3, 1:3), detJ !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) dPsi = self%dPsi(Xi, 3) - invJ = self%invJac(Xi, 3, dPsi) - detJ = self%detJac(Xi, 3, dPsi) + pDer = self%partialDer(3, dPsi) + invJ = self%invJac(pDer) + detJ = self%detJac(pDer) Xi = MATMUL(invJ,deltaR)/detJ END FUNCTION phy2logTria - SUBROUTINE nextElementTria(self, Xi, nextElement) + SUBROUTINE neighbourElementTria(self, Xi, neighbourElement) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: Xi(1:3) - CLASS(meshElement), POINTER, INTENT(out):: nextElement + CLASS(meshElement), POINTER, INTENT(out):: neighbourElement REAL(8):: XiArray(1:3) INTEGER:: nextInt XiArray = (/ Xi(2), 1.D0-Xi(1)-Xi(2), Xi(1) /) nextInt = MINLOC(XiArray,1) - NULLIFY(nextElement) + NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) - nextElement => self%e1 + neighbourElement => self%e1 CASE (2) - nextElement => self%e2 + neighbourElement => self%e2 CASE (3) - nextElement => self%e3 + neighbourElement => self%e3 END SELECT - END SUBROUTINE nextElementTria + END SUBROUTINE neighbourElementTria + + !Calculates area for triangular element + PURE SUBROUTINE areaTria(self) + IMPLICIT NONE + + CLASS(meshCell2DCartTria), INTENT(inout):: self + REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:3) + + self%volume = 0.D0 + self%arNodes = 0.D0 + !2D 1 point Gauss Quad Integral + Xi = (/ 1.D0/3.D0, 1.D0/3.D0, 0.D0 /) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 4) + !Computes total volume of the cell + self%volume = detJ + !Computes volume per node + self%arNodes = fPsi*detJ + + END SUBROUTINE areaTria !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 2D !Computes element Jacobian determinant - PURE FUNCTION detJ2DCart(self, Xi, nNodes, dPsi_in) RESULT(dJ) + PURE FUNCTION detJ2DCart(pDer) RESULT(dJ) IMPLICIT NONE - CLASS(meshCell2DCart), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: dJ - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dx(1:2), dy(1:2) - IF(PRESENT(dPsi_in)) THEN - dPsi = dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 4) - - END IF - - CALL self%partialDer(nNodes, dPsi, dx, dy) - - dJ = dx(1)*dy(2)-dx(2)*dy(1) + dJ = pDer(1,1)*pDer(2,2)-pDer(1,2)*pDer(2,1) END FUNCTION detJ2DCart !Computes element Jacobian inverse matrix (without determinant) - PURE FUNCTION invJ2DCart(self, Xi, nNodes, dPsi_in) RESULT(invJ) + PURE FUNCTION invJ2DCart(pDer) RESULT(invJ) IMPLICIT NONE - CLASS(meshCell2DCart), INTENT(in):: self - REAL(8), INTENT(in):: Xi(1:3) - INTEGER, INTENT(in):: nNodes - REAL(8), INTENT(in), OPTIONAL:: dPsi_in(1:3,1:nNodes) + REAL(8), INTENT(in):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3) - REAL(8):: dPsi(1:3,1:nNodes) - REAL(8):: dx(1:2), dy(1:2) - - IF(PRESENT(dPsi_in)) THEN - dPsi=dPsi_in - - ELSE - dPsi = self%dPsi(Xi, 4) - - END IF invJ = 0.D0 - CALL self%partialDer(nNodes, dPsi, dx, dy) - - invJ(1,1:2) = (/ dy(2), -dx(2) /) - invJ(2,1:2) = (/ -dy(1), dx(1) /) + invJ(1, 1:2) = (/ pDer(2,2), -pDer(1,2) /) + invJ(2, 1:2) = (/ -pDer(2,1), pDer(1,1) /) + invJ(3, 3) = 1.D0 END FUNCTION invJ2DCart diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 1e8c79d..d9a7f32 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -67,7 +67,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: neighbourElement => neighbourElementQuad !PARTICLUAR PROCEDURES - PROCEDURE, PASS:: area => areaQuad + PROCEDURE, PASS, PRIVATE:: area => areaQuad END TYPE meshCell2DCylQuad @@ -99,7 +99,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: neighbourElement => neighbourElementTria !PARTICULAR PROCEDURES - PROCEDURE, PASS:: area => areaTria + PROCEDURE, PASS, PRIVATE:: area => areaTria END TYPE meshCell2DCylTria @@ -256,8 +256,13 @@ MODULE moduleMesh2DCyl TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 + !Assign node index self%n = n + + !Assign number of nodes of cell self%nNodes = SIZE(p) + + !Assign nodes to element self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -428,7 +433,7 @@ MODULE moduleMesh2DCyl INTEGER, INTENT(in):: nNodes REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: dPsi(1:3, 1:4) REAL(8):: pDer(1:3, 1:3) REAL(8):: r REAL(8):: invJ(1:3,1:3), detJ @@ -445,8 +450,7 @@ MODULE moduleMesh2DCyl pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) - fPsi = self%fPsi(Xi, 4) - r = DOT_PRODUCT(fPsi,self%r) + r = self%gatherF(Xi, 4, self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & MATMUL(invJ,dPsi))* & r*wQuad(l)*wQuad(m)/detJ @@ -467,7 +471,8 @@ MODULE moduleMesh2DCyl REAL(8), INTENT(in):: source(1:nNodes) REAL(8):: localF(1:nNodes) REAL(8):: Xi(1:3) - REAL(8):: fPsi(1:4), dPsi(1:3, 1:4) + REAL(8):: fPsi(1:4) + REAL(8):: dPsi(1:3, 1:4) REAL(8):: pDer(1:3, 1:3) REAL(8):: r REAL(8):: detJ, f @@ -483,7 +488,7 @@ MODULE moduleMesh2DCyl pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) - r = DOT_PRODUCT(fPsi,self%r) + r = DOT_PRODUCT(fPsi, self%r) f = DOT_PRODUCT(fPsi,source) localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ @@ -539,7 +544,7 @@ MODULE moduleMesh2DCyl END FUNCTION phy2logQuad - !Gets the next element for a logical position Xi + !Get the next element for a logical position Xi SUBROUTINE neighbourElementQuad(self, Xi, neighbourElement) IMPLICIT NONE @@ -572,7 +577,8 @@ MODULE moduleMesh2DCyl IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(inout):: self - REAL(8):: r, Xi(1:3) + REAL(8):: Xi(1:3) + REAL(8):: r REAL(8):: detJ REAL(8):: fPsi(1:4) REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) @@ -583,24 +589,24 @@ MODULE moduleMesh2DCyl Xi = 0.D0 dPsi = self%dPsi(Xi, 4) pDer = self%partialDer(4, dPsi) - detJ = self%detJac(pDer)*PI8 !4*2*pi + detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ + self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node Xi = (/-5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(1) = fPsi(1)*r*detJ + self%arNodes(1) = fPsi(1)*self%volume Xi = (/ 5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(2) = fPsi(2)*r*detJ + self%arNodes(2) = fPsi(2)*self%volume Xi = (/ 5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(3) = fPsi(3)*r*detJ + self%arNodes(3) = fPsi(3)*self%volume Xi = (/-5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(4) = fPsi(4)*r*detJ + self%arNodes(4) = fPsi(4)*self%volume END SUBROUTINE areaQuad @@ -619,7 +625,7 @@ MODULE moduleMesh2DCyl !Assign node index self%n = n - !Assign nomber of nodes to cell + !Assign number of nodes of cell self%nNodes = SIZE(p) !Assign nodes to element @@ -736,7 +742,7 @@ MODULE moduleMesh2DCyl self%n2%emData%phi, & self%n3%emData%phi /) - array = -self%gatherDF(Xi, 4, phi) + array = -self%gatherDF(Xi, 3, phi) END FUNCTION gatherEFTria @@ -772,8 +778,8 @@ MODULE moduleMesh2DCyl INTEGER, INTENT(in):: nNodes REAL(8):: localK(1:nNodes,1:nNodes) REAL(8):: Xi(1:3) + REAL(8):: dPsi(1:3,1:3) REAL(8):: r - REAL(8):: fPsi(1:3), dPsi(1:3,1:3) REAL(8):: pDer(1:3, 1:3) REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l @@ -788,8 +794,7 @@ MODULE moduleMesh2DCyl pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) - fPsi = self%fPsi(Xi, 3) - r = DOT_PRODUCT(fPsi,self%r) + r = self%gatherF(Xi, 3, self%r) localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*r*wTria(l)/detJ END DO @@ -809,22 +814,23 @@ MODULE moduleMesh2DCyl REAL(8):: fPsi(1:3) REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) REAL(8):: Xi(1:3) - REAL(8):: r REAL(8):: detJ, f + REAL(8):: r INTEGER:: l localF = 0.D0 - Xi = 0.D0 + + Xi = 0.D0 !Start 2D Gauss Quad Integral - DO l=1, 4 + DO l = 1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 3) - r = DOT_PRODUCT(fPsi,self%r) - f = DOT_PRODUCT(fPsi,source) + r = DOT_PRODUCT(fPsi, self%r) + f = DOT_PRODUCT(fPsi, source) localF = localF + r*f*fPsi*wTria(l)*detJ END DO @@ -897,10 +903,10 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylTria), INTENT(inout):: self REAL(8):: Xi(1:3) - REAL(8):: r REAL(8):: dPsi(1:3, 1:3), pDer(1:3, 1:3) REAL(8):: detJ REAL(8):: fPsi(1:3) + REAL(8):: r self%volume = 0.D0 self%arNodes = 0.D0 @@ -908,13 +914,13 @@ MODULE moduleMesh2DCyl Xi = (/ 1.D0/3.D0, 1.D0/3.D0, 0.D0 /) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) - detJ = self%detJac(pDer)*PI !2PI*1/2 - fPsi = self%fPsi(Xi, 4) + detJ = self%detJac(pDer) + fPsi = self%fPsi(Xi, 3) !Computes total volume of the cell - r = DOT_PRODUCT(fPsi,self%r) - self%volume = r*detJ + r = DOT_PRODUCT(fPsi, self%r) + self%volume = r*detJ*PI !2PI*1/2 !Computes volume per node - self%arNodes = fPsi*r*detJ + self%arNodes = fPsi*self%volume END SUBROUTINE areaTria @@ -939,9 +945,9 @@ MODULE moduleMesh2DCyl invJ = 0.D0 - invJ(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) - invJ(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) - invJ(3,3) = 1.D0 + invJ(1, 1:2) = (/ pDer(2,2), -pDer(1,2) /) + invJ(2, 1:2) = (/ -pDer(2,1), pDer(1,1) /) + invJ(3, 3) = 1.D0 END FUNCTION invJ2DCyl diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index a2c849d..34474cd 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -30,7 +30,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: intersection => intersection3DCartTria PROCEDURE, PASS:: randPos => randPosEdgeTria !PARTICULAR PROCEDURES - PROCEDURE, NOPASS:: fPsi => fPsiEdgeTria + PROCEDURE, NOPASS, PRIVATE:: fPsi => fPsiEdgeTria END TYPE meshEdge3DCartTria @@ -60,7 +60,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: neighbourElement => neighbourElementTetra !PARTICULAR PROCEDURES - PROCEDURE, PASS:: calcVol => volumeTetra + PROCEDURE, PASS, PRIVATE:: calcVol => volumeTetra END TYPE meshCell3DCartTetra From 746c5bea09a07aee8e59973590e4999c80830be2 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 6 Jan 2023 21:02:54 +0100 Subject: [PATCH 078/203] First step of performance improvement Finalysing first step of performance improvement focusing on reducing iteration CPU time by improving calculation of basic element functions, which took a lot of the CPU time --- src/modules/common/moduleConstParam.f90 | 3 +- src/modules/init/moduleInput.f90 | 8 +- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 41 +++--- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 46 +++--- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 121 +++++++-------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 139 +++++++++--------- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 131 +++++++++-------- .../mesh/inout/0D/moduleMeshInput0D.f90 | 3 +- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 3 +- src/modules/mesh/moduleMesh.f90 | 3 +- src/modules/mesh/moduleMeshBoundary.f90 | 4 +- src/modules/moduleCollisions.f90 | 8 +- src/modules/moduleSpecies.f90 | 2 +- 13 files changed, 260 insertions(+), 252 deletions(-) diff --git a/src/modules/common/moduleConstParam.f90 b/src/modules/common/moduleConstParam.f90 index cb12a23..58a3cc8 100644 --- a/src/modules/common/moduleConstParam.f90 +++ b/src/modules/common/moduleConstParam.f90 @@ -6,7 +6,8 @@ MODULE moduleConstParam REAL(8), PARAMETER:: PI = 4.D0*DATAN(1.D0) !number pi REAL(8), PARAMETER:: PI2 = 2.D0*PI !2*pi - REAL(8), PARAMETER:: PI8 = 8.D0*PI !2*pi + REAL(8), PARAMETER:: PI4 = 4.D0*PI !4*pi + REAL(8), PARAMETER:: PI8 = 8.D0*PI !8*pi REAL(8), PARAMETER:: sccm2atomPerS = 4.5D17 !sccm to atom s^-1 REAL(8), PARAMETER:: qe = 1.60217662D-19 !Elementary charge REAL(8), PARAMETER:: kb = 1.38064852D-23 !Boltzmann constants SI diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 0f409fb..ff2cc4b 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -354,7 +354,7 @@ MODULE moduleInput CALL config%get(object // '.file', spFile, found) !Reads node values at the nodes filename = path // spFile - CALL mesh%readInitial(sp, filename, density, velocity, temperature) + CALL mesh%readInitial(filename, density, velocity, temperature) !For each volume in the node, create corresponding particles DO e = 1, mesh%numCells !Scale variables @@ -378,9 +378,9 @@ MODULE moduleInput ALLOCATE(partNew) partNew%species => species(sp)%obj partNew%r = mesh%cells(e)%obj%randPos() - partNew%xi = mesh%cells(e)%obj%phy2log(partNew%r) + partNew%Xi = mesh%cells(e)%obj%phy2log(partNew%r) !Get mean velocity at particle position - fPsi = mesh%cells(e)%obj%fPsi(partNew%xi, nNodes) + fPsi = mesh%cells(e)%obj%fPsi(partNew%Xi, nNodes) DO j = 1, nNodes source(j) = velocity(nodes(j), 1) @@ -645,7 +645,7 @@ MODULE moduleInput INTEGER:: e CLASS(meshCell), POINTER:: vol - !Firstly, checks if the object 'interactions' exists + !Firstly, check if the object 'interactions' exists CALL config%info('interactions', found) IF (found) THEN !Checks if MC collisions have been defined diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 6a43ca1..82f43c2 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -41,7 +41,6 @@ MODULE moduleMesh1DCart CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() - REAL(8):: arNodes(1:2) CONTAINS !meshCell DEFERRED PROCEDURES PROCEDURE, PASS:: init => initCell1DCartSegm @@ -60,7 +59,7 @@ MODULE moduleMesh1DCart PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: neighbourElement => neighbourElementSegm !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaSegm + PROCEDURE, PASS, PRIVATE:: vol => volumeSegm END TYPE meshCell1DCartSegm @@ -100,7 +99,7 @@ MODULE moduleMesh1DCart END FUNCTION getCoord1DCart !EDGE FUNCTIONS - !Inits edge element + !Init edge element SUBROUTINE initEdge1DCart(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary @@ -133,7 +132,7 @@ MODULE moduleMesh1DCart CALL pointBoundaryFunction(self, s) END DO - + !Physical Surface self%physicalSurface = physicalSurface @@ -162,7 +161,7 @@ MODULE moduleMesh1DCart END FUNCTION intersection1DCart - !Calculates a 'random' position in edge + !Calculate a 'random' position in edge FUNCTION randPosEdge(self) RESULT(r) CLASS(meshEdge1DCart), INTENT(in):: self REAL(8):: r(1:3) @@ -173,7 +172,7 @@ MODULE moduleMesh1DCart !VOLUME FUNCTIONS !SEGMENT FUNCTIONS - !Init segment element + !Init element SUBROUTINE initCell1DCartSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -194,9 +193,7 @@ MODULE moduleMesh1DCart self%x = (/ r1(1), r2(1) /) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -237,7 +234,7 @@ MODULE moduleMesh1DCart END FUNCTION randPos1DCartSegm - !Computes element functions at point Xi + !Compute element functions at point Xi PURE FUNCTION fPsiSegm(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -317,7 +314,7 @@ MODULE moduleMesh1DCart END FUNCTION gatherMFSegm - !Computes element local stiffness matrix + !Compute element local stiffness matrix PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) IMPLICIT NONE @@ -348,7 +345,7 @@ MODULE moduleMesh1DCart END FUNCTION elemKSegm - !Computes the local source vector for a force f + !Compute the local source vector for a force f PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) IMPLICIT NONE @@ -422,8 +419,8 @@ MODULE moduleMesh1DCart END SUBROUTINE neighbourElementSegm - !Computes element area - PURE SUBROUTINE areaSegm(self) + !Compute element vol + PURE SUBROUTINE volumeSegm(self) IMPLICIT NONE CLASS(meshCell1DCartSegm), INTENT(inout):: self @@ -433,22 +430,22 @@ MODULE moduleMesh1DCart REAL(8):: fPsi(1:2) self%volume = 0.D0 - self%arNodes = 0.D0 !1D 1 point Gauss Quad Integral Xi = 0.D0 dPsi = self%dPsi(Xi, 2) pDer = self%partialDer(2, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 2) - !Computes total volume of the cell + !Compute total volume of the cell self%volume = detJ*2.D0 - !Computes volume per node - self%arNodes = fPsi*self%volume + !Compute volume per node + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume - END SUBROUTINE areaSegm + END SUBROUTINE volumeSegm !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS - !Computes element Jacobian determinant + !Compute element Jacobian determinant PURE FUNCTION detJ1DCart(pDer) RESULT(dJ) IMPLICIT NONE @@ -459,7 +456,7 @@ MODULE moduleMesh1DCart END FUNCTION detJ1DCart - !Computes element Jacobian inverse matrix (without determinant) + !Compute element Jacobian inverse matrix (without determinant) PURE FUNCTION invJ1DCart(pDer) RESULT(invJ) IMPLICIT NONE @@ -575,7 +572,7 @@ MODULE moduleMesh1DCart elemA%e1 => elemB elemB%e2 => elemA - !Revers the normal to point inside the domain + !Rever the normal to point inside the domain elemB%normal = - elemB%normal END IF diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 8230901..c8ff414 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -41,7 +41,6 @@ MODULE moduleMesh1DRad CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL() - REAL(8):: arNodes(1:2) CONTAINS !meshCell DEFERRED PROCEDURES PROCEDURE, PASS:: init => initCell1DRadSegm @@ -60,7 +59,7 @@ MODULE moduleMesh1DRad PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: neighbourElement => neighbourElementSegm !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaSegm + PROCEDURE, PASS, PRIVATE:: vol => volumeSegm END TYPE meshCell1DRadSegm @@ -82,7 +81,7 @@ MODULE moduleMesh1DRad !Node volume, to be determined in mesh self%v = 0.D0 - !Allocates output + !Allocate output ALLOCATE(self%output(1:nSpecies)) CALL OMP_INIT_LOCK(self%lock) @@ -100,7 +99,7 @@ MODULE moduleMesh1DRad END FUNCTION getCoord1DRad !EDGE FUNCTIONS - !Inits edge element + !Init edge element SUBROUTINE initEdge1DRad(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary @@ -162,7 +161,7 @@ MODULE moduleMesh1DRad END FUNCTION intersection1DRad - !Calculates a 'random' position in edge + !Calculate a 'random' position in edge FUNCTION randPos1DRad(self) RESULT(r) CLASS(meshEdge1DRad), INTENT(in):: self REAL(8):: r(1:3) @@ -173,7 +172,7 @@ MODULE moduleMesh1DRad !VOLUME FUNCTIONS !SEGMENT FUNCTIONS - !Init segment element + !Init element SUBROUTINE initCell1DRadSegm(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -194,9 +193,7 @@ MODULE moduleMesh1DRad self%r = (/ r1(1), r2(1) /) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -237,7 +234,7 @@ MODULE moduleMesh1DRad END FUNCTION randPos1DRadSegm - !Computes element functions at point Xi + !Compute element functions at point Xi PURE FUNCTION fPsiSegm(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -317,7 +314,7 @@ MODULE moduleMesh1DRad END FUNCTION gatherMFSegm - !Computes element local stiffness matrix + !Compute element local stiffness matrix PURE FUNCTION elemKSegm(self, nNodes) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE @@ -352,7 +349,7 @@ MODULE moduleMesh1DRad END FUNCTION elemKSegm - !Computes the local source vector for a force f + !Compute the local source vector for a force f PURE FUNCTION elemFSegm(self, nNodes, source) RESULT(localF) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE @@ -430,9 +427,9 @@ MODULE moduleMesh1DRad END SUBROUTINE neighbourElementSegm - !Computes element area - PURE SUBROUTINE areaSegm(self) - USE moduleConstParam, ONLY: PI + !Compute element vol + PURE SUBROUTINE volumeSegm(self) + USE moduleConstParam, ONLY: PI4 IMPLICIT NONE CLASS(meshCell1DRadSegm), INTENT(inout):: self @@ -443,28 +440,27 @@ MODULE moduleMesh1DRad REAL(8):: r self%volume = 0.D0 - self%arNodes = 0.D0 !1D 1 point Gauss Quad Integral Xi = 0.D0 dPsi = self%dPsi(Xi, 2) pDer = self%partialDer(2, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 2) - !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) - self%volume = r*detJ*2.D0*PI !2PI - !Computes volume per node + !Compute total volume of the cell + self%volume = r*detJ*PI4 !2*2PI + !Compute volume per node Xi = (/-5.D-1, 0.D0, 0.D0/) r = self%gatherF(Xi, 2, self%r) - self%arNodes(1) = fPsi(1)*self%volume + self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI4 Xi = (/ 5.D-1, 0.D0, 0.D0/) r = self%gatherF(Xi, 2, self%r) - self%arNodes(2) = fPsi(2)*self%volume + self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI4 - END SUBROUTINE areaSegm + END SUBROUTINE volumeSegm !COMMON FUNCTIONS FOR 1D VOLUME ELEMENTS - !Computes element Jacobian determinant + !Compute element Jacobian determinant PURE FUNCTION detJ1DRad(pDer) RESULT(dJ) IMPLICIT NONE @@ -475,7 +471,7 @@ MODULE moduleMesh1DRad END FUNCTION detJ1DRad - !Computes element Jacobian inverse matrix (without determinant) + !Compute element Jacobian inverse matrix (without determinant) PURE FUNCTION invJ1DRad(pDer) RESULT(invJ) IMPLICIT NONE @@ -591,7 +587,7 @@ MODULE moduleMesh1DRad elemA%e1 => elemB elemB%e2 => elemA - !Revers the normal to point inside the domain + !Rever the normal to point inside the domain elemB%normal = - elemB%normal END IF diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index eab1266..cba0cdf 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -47,7 +47,6 @@ MODULE moduleMesh2DCart CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() - REAL(8):: arNodes(1:4) = 0.D0 CONTAINS !meshCell DEFERRED PROCEDURES @@ -67,7 +66,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: neighbourElement => neighbourElementQuad !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaQuad + PROCEDURE, PASS, PRIVATE:: vol => volumeQuad END TYPE meshCell2DCartQuad @@ -79,7 +78,6 @@ MODULE moduleMesh2DCart CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() - REAL(8):: arNodes(1:3) = 0.D0 CONTAINS !meshCell DEFERRED PROCEDURES @@ -99,7 +97,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: neighbourElement => neighbourElementTria !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaTria + PROCEDURE, PASS, PRIVATE:: vol => volumeTria END TYPE meshCell2DCartTria @@ -141,7 +139,7 @@ MODULE moduleMesh2DCart END FUNCTION getCoord2DCart !EDGE FUNCTIONS - !Inits edge element + !Init edge element SUBROUTINE initEdge2DCart(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary @@ -198,6 +196,7 @@ MODULE moduleMesh2DCart END FUNCTION getNodes2DCart + !Calculate intersection between position and edge PURE FUNCTION intersection2DCartEdge(self, r0) RESULT(r) IMPLICIT NONE @@ -216,7 +215,7 @@ MODULE moduleMesh2DCart END FUNCTION intersection2DCartEdge - !Calculates a random position in edge + !Calculate a random position in edge FUNCTION randPosEdge(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -237,7 +236,7 @@ MODULE moduleMesh2DCart !VOLUME FUNCTIONS !QUAD FUNCTIONS - !Inits quadrilateral element + !Init element SUBROUTINE initCellQuad2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -268,11 +267,7 @@ MODULE moduleMesh2DCart self%y = (/r1(2), r2(2), r3(2), r4(2)/) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) - self%n3%v = self%n3%v + self%arNodes(3) - self%n4%v = self%n4%v + self%arNodes(4) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -303,19 +298,19 @@ MODULE moduleMesh2DCart REAL(8):: Xi(1:3) REAL(8):: fPsi(1:4) - Xi = 0.D0 Xi(1) = random(-1.D0, 1.D0) Xi(2) = random(-1.D0, 1.D0) + Xi(3) = 0.D0 fPsi = self%fPsi(Xi, 4) - r = 0.D0 r(1) = DOT_PRODUCT(fPsi, self%x) r(2) = DOT_PRODUCT(fPsi, self%y) + r(3) = 0.D0 END FUNCTION randPosCellQuad - !Computes element functions in point Xi + !Compute element functions in point Xi PURE FUNCTION fPsiQuad(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -323,10 +318,10 @@ MODULE moduleMesh2DCart INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) - fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0+Xi(2)), & - (1.D0-Xi(1)) * (1.D0+Xi(2)) /) + fPsi = (/ (1.D0 - Xi(1)) * (1.D0 - Xi(2)), & + (1.D0 + Xi(1)) * (1.D0 - Xi(2)), & + (1.D0 + Xi(1)) * (1.D0 + Xi(2)), & + (1.D0 - Xi(1)) * (1.D0 + Xi(2)) /) fPsi = fPsi * 0.25D0 @@ -417,7 +412,7 @@ MODULE moduleMesh2DCart END FUNCTION gatherMFQuad - !Computes element local stiffness matrix + !Compute element local stiffness matrix PURE FUNCTION elemKQuad(self, nNodes) RESULT(localK) IMPLICIT NONE @@ -427,7 +422,6 @@ MODULE moduleMesh2DCart REAL(8):: Xi(1:3) REAL(8):: dPsi(1:3, 1:4) REAL(8):: pDer(1:3, 1:3) - REAL(8):: r REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l, m @@ -478,7 +472,7 @@ MODULE moduleMesh2DCart pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) - f = DOT_PRODUCT(fPsi,source) + f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wQuad(l)*wQuad(m)*detJ END DO @@ -486,7 +480,7 @@ MODULE moduleMesh2DCart END FUNCTION elemFQuad - !Checks if a particle is inside a quad element + !Check if Xi is inside the element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -498,7 +492,7 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad - !Transforms physical coordinates to element coordinates + !Transform physical coordinates to element coordinates PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE @@ -532,7 +526,7 @@ MODULE moduleMesh2DCart END FUNCTION phy2logQuad - !Gets the next element for a logical position Xi + !Get the neighbour element for a logical position Xi SUBROUTINE neighbourElementQuad(self, Xi, neighbourElement) IMPLICIT NONE @@ -544,7 +538,7 @@ MODULE moduleMesh2DCart XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) nextInt = MAXLOC(XiArray,1) - !Selects the higher value of directions and searches in that direction + !Select the higher value of directions and searches in that direction NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) @@ -559,8 +553,8 @@ MODULE moduleMesh2DCart END SUBROUTINE neighbourElementQuad - !Computes element area - PURE SUBROUTINE areaQuad(self) + !Compute element volume + PURE SUBROUTINE volumeQuad(self) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(inout):: self @@ -570,22 +564,24 @@ MODULE moduleMesh2DCart REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) self%volume = 0.D0 - self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = 0.D0 dPsi = self%dPsi(Xi, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) - !Computes total volume of the cell - self%volume = detJ - !Computes volume per node - self%arNodes = fPsi*detJ + !Compute total volume of the cell + self%volume = detJ*4.D0 + !Compute volume per node + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume + self%n3%v = self%n3%v + fPsi(3)*self%volume + self%n4%v = self%n4%v + fPsi(4)*self%volume - END SUBROUTINE areaQuad + END SUBROUTINE volumeQuad - !TRIA ELEMENT - !Init tria element + !TRIA FUNCTIONS + !Init element SUBROUTINE initCellTria2DCart(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -613,10 +609,7 @@ MODULE moduleMesh2DCart self%x = (/r1(1), r2(1), r3(1)/) self%y = (/r1(2), r2(2), r3(2)/) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) - self%n3%v = self%n3%v + self%arNodes(3) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -625,7 +618,7 @@ MODULE moduleMesh2DCart END SUBROUTINE initCellTria2DCart - !Gets node indexes from triangular element + !Random position in cell PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) IMPLICIT NONE @@ -637,7 +630,7 @@ MODULE moduleMesh2DCart END FUNCTION getNodesTria - !Random position in quadrilateral volume + !Random position in cell FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -659,7 +652,7 @@ MODULE moduleMesh2DCart END FUNCTION randPosCellTria - !Shape functions for triangular element + !Compute element functions in point Xi PURE FUNCTION fPsiTria(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -673,7 +666,7 @@ MODULE moduleMesh2DCart END FUNCTION fPsiTria - !Derivative element function at coordinates Xi + !Compute element derivative functions in point Xi PURE FUNCTION dPsiTria(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE @@ -688,6 +681,7 @@ MODULE moduleMesh2DCart END FUNCTION dPsiTria + !Compute the derivatives in global coordinates PURE FUNCTION partialDerTria(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE @@ -705,6 +699,7 @@ MODULE moduleMesh2DCart END FUNCTION partialDerTria + !Gather electric field at position Xi PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self @@ -720,6 +715,7 @@ MODULE moduleMesh2DCart END FUNCTION gatherEFTria + !Gather magnetic field at position Xi PURE FUNCTION gatherMFTria(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(in):: self @@ -743,7 +739,7 @@ MODULE moduleMesh2DCart END FUNCTION gatherMFTria - !Computes element local stiffness matrix + !Compute cell local stiffness matrix PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) IMPLICIT NONE @@ -756,7 +752,8 @@ MODULE moduleMesh2DCart REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l - localK=0.D0 + localK = 0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 @@ -772,7 +769,7 @@ MODULE moduleMesh2DCart END FUNCTION elemKTria - !Computes element local source vector + !Compute element local source vector PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) IMPLICIT NONE @@ -787,22 +784,24 @@ MODULE moduleMesh2DCart INTEGER:: l localF = 0.D0 - Xi = 0.D0 + + Xi = 0.D0 !Start 2D Gauss Quad Integral - DO l=1, 4 + DO l = 1, 4 Xi(1) = Xi1Tria(l) Xi(2) = Xi2Tria(l) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 3) - f = DOT_PRODUCT(fPsi,source) + f = DOT_PRODUCT(fPsi, source) localF = localF + f*fPsi*wTria(l)*detJ END DO END FUNCTION elemFTria + !Check if Xi is inside the element PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE @@ -815,7 +814,7 @@ MODULE moduleMesh2DCart END FUNCTION insideTria - !Transforms physical coordinates to element coordinates + !Transform physical coordinates to element coordinates PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE @@ -838,6 +837,7 @@ MODULE moduleMesh2DCart END FUNCTION phy2logTria + !Get the neighbour cell for a logical position Xi SUBROUTINE neighbourElementTria(self, Xi, neighbourElement) IMPLICIT NONE @@ -861,8 +861,8 @@ MODULE moduleMesh2DCart END SUBROUTINE neighbourElementTria - !Calculates area for triangular element - PURE SUBROUTINE areaTria(self) + !Calculate volume for triangular element + PURE SUBROUTINE volumeTria(self) IMPLICIT NONE CLASS(meshCell2DCartTria), INTENT(inout):: self @@ -872,22 +872,23 @@ MODULE moduleMesh2DCart REAL(8):: fPsi(1:3) self%volume = 0.D0 - self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = (/ 1.D0/3.D0, 1.D0/3.D0, 0.D0 /) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) - fPsi = self%fPsi(Xi, 4) + fPsi = self%fPsi(Xi, 3) !Computes total volume of the cell - self%volume = detJ + self%volume = detJ !Computes volume per node - self%arNodes = fPsi*detJ + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume + self%n3%v = self%n3%v + fPsi(3)*self%volume - END SUBROUTINE areaTria + END SUBROUTINE volumeTria !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 2D - !Computes element Jacobian determinant + !Compute element Jacobian determinant PURE FUNCTION detJ2DCart(pDer) RESULT(dJ) IMPLICIT NONE @@ -898,7 +899,7 @@ MODULE moduleMesh2DCart END FUNCTION detJ2DCart - !Computes element Jacobian inverse matrix (without determinant) + !Compute element Jacobian inverse matrix (without determinant) PURE FUNCTION invJ2DCart(pDer) RESULT(invJ) IMPLICIT NONE diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index d9a7f32..c2b0674 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -47,7 +47,6 @@ MODULE moduleMesh2DCyl CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL(), n4 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL(), e4 => NULL() - REAL(8):: arNodes(1:4) = 0.D0 CONTAINS !meshCell DEFERRED PROCEDURES @@ -67,7 +66,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: neighbourElement => neighbourElementQuad !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaQuad + PROCEDURE, PASS, PRIVATE:: vol => volumeQuad END TYPE meshCell2DCylQuad @@ -79,7 +78,6 @@ MODULE moduleMesh2DCyl CLASS(meshNode), POINTER:: n1 => NULL(), n2 => NULL(), n3 => NULL() !Connectivity to adjacent elements CLASS(meshElement), POINTER:: e1 => NULL(), e2 => NULL(), e3 => NULL() - REAL(8):: arNodes(1:3) = 0.D0 CONTAINS !meshCell DEFERRED PROCEDURES @@ -99,13 +97,13 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: neighbourElement => neighbourElementTria !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: area => areaTria + PROCEDURE, PASS, PRIVATE:: vol => volumeTria END TYPE meshCell2DCylTria CONTAINS !NODE FUNCTIONS - !Inits node element + !Init node element SUBROUTINE initNode2DCyl(self, n, r) USE moduleSpecies USE moduleRefParam @@ -141,7 +139,7 @@ MODULE moduleMesh2DCyl END FUNCTION getCoord2DCyl !EDGE FUNCTIONS - !Inits edge element + !Init edge element SUBROUTINE initEdge2DCyl(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary @@ -198,6 +196,7 @@ MODULE moduleMesh2DCyl END FUNCTION getNodes2DCyl + !Calculate intersection between position and edge PURE FUNCTION intersection2DCylEdge(self, r0) RESULT(r) IMPLICIT NONE @@ -216,15 +215,15 @@ MODULE moduleMesh2DCyl END FUNCTION intersection2DCylEdge - !Calculates a random position in edge + !Calculate a random position in edge FUNCTION randPosEdge(self) RESULT(r) USE moduleRandom IMPLICIT NONE CLASS(meshEdge2DCyl), INTENT(in):: self REAL(8):: rnd - REAL(8):: dr, dz REAL(8):: r(1:3) + REAL(8):: dr, dz rnd = random() dr = self%r(2) - self%r(1) @@ -245,7 +244,7 @@ MODULE moduleMesh2DCyl !VOLUME FUNCTIONS !QUAD FUNCTIONS - !Inits quadrilateral element + !Init element SUBROUTINE initCellQuad2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -276,11 +275,7 @@ MODULE moduleMesh2DCyl self%r = (/r1(2), r2(2), r3(2), r4(2)/) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) - self%n3%v = self%n3%v + self%arNodes(3) - self%n4%v = self%n4%v + self%arNodes(4) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -289,7 +284,7 @@ MODULE moduleMesh2DCyl END SUBROUTINE initCellQuad2DCyl - !Gets nodes from quadrilateral element + !Get nodes from quadrilateral element PURE FUNCTION getNodesQuad(self, nNodes) RESULT(n) IMPLICIT NONE @@ -297,7 +292,7 @@ MODULE moduleMesh2DCyl INTEGER, INTENT(in):: nNodes INTEGER:: n(1:nNodes) - n = (/self%n1%n, self%n2%n, self%n3%n, self%n4%n /) + n = (/ self%n1%n, self%n2%n, self%n3%n, self%n4%n /) END FUNCTION getNodesQuad @@ -331,12 +326,12 @@ MODULE moduleMesh2DCyl INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) - fPsi = (/ (1.D0-Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0-Xi(2)), & - (1.D0+Xi(1)) * (1.D0+Xi(2)), & - (1.D0-Xi(1)) * (1.D0+Xi(2)) /) + fPsi = (/ (1.D0 - Xi(1)) * (1.D0 - Xi(2)), & + (1.D0 + Xi(1)) * (1.D0 - Xi(2)), & + (1.D0 + Xi(1)) * (1.D0 + Xi(2)), & + (1.D0 - Xi(1)) * (1.D0 + Xi(2)) /) - fPsi = fPsi*0.25D0 + fPsi = fPsi * 0.25D0 END FUNCTION fPsiQuad @@ -350,15 +345,15 @@ MODULE moduleMesh2DCyl dPsi = 0.D0 - dPsi(1,:) = (/ -(1.D0 - Xi(2)), & - (1.D0 - Xi(2)), & - (1.D0 + Xi(2)), & - -(1.D0 + Xi(2)) /) + dPsi(1, 1:4) = (/ -(1.D0 - Xi(2)), & + (1.D0 - Xi(2)), & + (1.D0 + Xi(2)), & + -(1.D0 + Xi(2)) /) - dPsi(2,:) = (/ -(1.D0 - Xi(1)), & - -(1.D0 + Xi(1)), & - (1.D0 + Xi(1)), & - (1.D0 - Xi(1)) /) + dPsi(2, 1:4) = (/ -(1.D0 - Xi(1)), & + -(1.D0 + Xi(1)), & + (1.D0 + Xi(1)), & + (1.D0 - Xi(1)) /) dPsi = dPsi * 0.25D0 @@ -379,6 +374,7 @@ MODULE moduleMesh2DCyl DOT_PRODUCT(dPsi(2,1:4),self%z(1:4)) /) pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:4),self%r(1:4)), & DOT_PRODUCT(dPsi(2,1:4),self%r(1:4)) /) + pDer(3,3) = 1.D0 END FUNCTION partialDerQuad @@ -439,10 +435,11 @@ MODULE moduleMesh2DCyl REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l, m - localK=0.D0 - Xi=0.D0 + localK = 0.D0 + + Xi = 0.D0 !Start 2D Gauss Quad Integral - DO l=1, 3 + DO l = 1, 3 Xi(2) = corQuad(l) DO m = 1, 3 Xi(1) = corQuad(m) @@ -479,8 +476,9 @@ MODULE moduleMesh2DCyl INTEGER:: l, m localF = 0.D0 - Xi = 0.D0 - DO l=1, 3 + + Xi = 0.D0 + DO l = 1, 3 Xi(1) = corQuad(l) DO m = 1, 3 Xi(2) = corQuad(m) @@ -489,7 +487,7 @@ MODULE moduleMesh2DCyl detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi, self%r) - f = DOT_PRODUCT(fPsi,source) + f = DOT_PRODUCT(fPsi, source) localF = localF + r*f*fPsi*wQuad(l)*wQuad(m)*detJ END DO @@ -498,7 +496,7 @@ MODULE moduleMesh2DCyl END FUNCTION elemFQuad - !Checks if a particle is inside a quad element + !Checks if Xi is inside the element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -510,7 +508,7 @@ MODULE moduleMesh2DCyl END FUNCTION insideQuad - !Transforms physical coordinates to element coordinates + !Transform physical coordinates to element coordinates PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE @@ -544,7 +542,7 @@ MODULE moduleMesh2DCyl END FUNCTION phy2logQuad - !Get the next element for a logical position Xi + !Get the neighbour element for a logical position Xi SUBROUTINE neighbourElementQuad(self, Xi, neighbourElement) IMPLICIT NONE @@ -571,8 +569,8 @@ MODULE moduleMesh2DCyl END SUBROUTINE neighbourElementQuad - !Computes element area - PURE SUBROUTINE areaQuad(self) + !Compute element volume + PURE SUBROUTINE volumeQuad(self) USE moduleConstParam, ONLY: PI8 IMPLICIT NONE @@ -584,34 +582,33 @@ MODULE moduleMesh2DCyl REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) self%volume = 0.D0 - self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = 0.D0 dPsi = self%dPsi(Xi, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) - !Computes total volume of the cell r = DOT_PRODUCT(fPsi,self%r) + !Computes total volume of the cell self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node Xi = (/-5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(1) = fPsi(1)*self%volume + self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 Xi = (/ 5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(2) = fPsi(2)*self%volume + self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 Xi = (/ 5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(3) = fPsi(3)*self%volume + self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 Xi = (/-5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%arNodes(4) = fPsi(4)*self%volume + self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 - END SUBROUTINE areaQuad + END SUBROUTINE volumeQuad - !TRIA ELEMENT - !Init tria element + !TRIA FUNCTIONS + !Init element SUBROUTINE initCellTria2DCyl(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -639,10 +636,7 @@ MODULE moduleMesh2DCyl self%z = (/r1(1), r2(1), r3(1)/) self%r = (/r1(2), r2(2), r3(2)/) !Assign node volume - CALL self%area() - self%n1%v = self%n1%v + self%arNodes(1) - self%n2%v = self%n2%v + self%arNodes(2) - self%n3%v = self%n3%v + self%arNodes(3) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -651,7 +645,7 @@ MODULE moduleMesh2DCyl END SUBROUTINE initCellTria2DCyl - !Gets node indexes from triangular element + !Random position in cell PURE FUNCTION getNodesTria(self, nNodes) RESULT(n) IMPLICIT NONE @@ -663,7 +657,7 @@ MODULE moduleMesh2DCyl END FUNCTION getNodesTria - !Random position in quadrilateral volume + !Random position in cell FUNCTION randPosCellTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -685,7 +679,7 @@ MODULE moduleMesh2DCyl END FUNCTION randPosCellTria - !Shape functions for triangular element + !Compute element functions in point Xi PURE FUNCTION fPsiTria(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -699,7 +693,7 @@ MODULE moduleMesh2DCyl END FUNCTION fPsiTria - !Derivative element function at coordinates Xi + !Compute element derivative functions in point Xi PURE FUNCTION dPsiTria(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE @@ -714,6 +708,7 @@ MODULE moduleMesh2DCyl END FUNCTION dPsiTria + !Compute the derivatives in global coordinates PURE FUNCTION partialDerTria(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE @@ -731,6 +726,7 @@ MODULE moduleMesh2DCyl END FUNCTION partialDerTria + !Gather electric field at position Xi PURE FUNCTION gatherEFTria(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self @@ -746,6 +742,7 @@ MODULE moduleMesh2DCyl END FUNCTION gatherEFTria + !Gather magnetic field at position Xi PURE FUNCTION gatherMFTria(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell2DCylTria), INTENT(in):: self @@ -769,7 +766,7 @@ MODULE moduleMesh2DCyl END FUNCTION gatherMFTria - !Computes element local stiffness matrix + !Compute cell local stiffness matrix PURE FUNCTION elemKTria(self, nNodes) RESULT(localK) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE @@ -784,7 +781,8 @@ MODULE moduleMesh2DCyl REAL(8):: invJ(1:3,1:3), detJ INTEGER:: l - localK=0.D0 + localK = 0.D0 + Xi=0.D0 !Start 2D Gauss Quad Integral DO l=1, 4 @@ -802,7 +800,7 @@ MODULE moduleMesh2DCyl END FUNCTION elemKTria - !Computes element local source vector + !Compute element local source vector PURE FUNCTION elemFTria(self, nNodes, source) RESULT(localF) USE moduleConstParam, ONLY: PI2 IMPLICIT NONE @@ -838,6 +836,7 @@ MODULE moduleMesh2DCyl END FUNCTION elemFTria + !Check if Xi is inside the element PURE FUNCTION insideTria(Xi) RESULT(ins) IMPLICIT NONE @@ -850,7 +849,7 @@ MODULE moduleMesh2DCyl END FUNCTION insideTria - !Transforms physical coordinates to element coordinates + !Transform physical coordinates to element coordinates PURE FUNCTION phy2logTria(self,r) RESULT(Xi) IMPLICIT NONE @@ -873,6 +872,7 @@ MODULE moduleMesh2DCyl END FUNCTION phy2logTria + !Get the neighbour cell for a logical position Xi SUBROUTINE neighbourElementTria(self, Xi, neighbourElement) IMPLICIT NONE @@ -896,8 +896,8 @@ MODULE moduleMesh2DCyl END SUBROUTINE neighbourElementTria - !Calculates area for triangular element - PURE SUBROUTINE areaTria(self) + !Calculate volume for triangular element + PURE SUBROUTINE volumeTria(self) USE moduleConstParam, ONLY: PI IMPLICIT NONE @@ -909,23 +909,24 @@ MODULE moduleMesh2DCyl REAL(8):: r self%volume = 0.D0 - self%arNodes = 0.D0 !2D 1 point Gauss Quad Integral Xi = (/ 1.D0/3.D0, 1.D0/3.D0, 0.D0 /) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 3) - !Computes total volume of the cell r = DOT_PRODUCT(fPsi, self%r) + !Computes total volume of the cell self%volume = r*detJ*PI !2PI*1/2 !Computes volume per node - self%arNodes = fPsi*self%volume + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume + self%n3%v = self%n3%v + fPsi(3)*self%volume - END SUBROUTINE areaTria + END SUBROUTINE volumeTria !COMMON FUNCTIONS FOR CYLINDRICAL VOLUME ELEMENTS - !Computes element Jacobian determinant + !Compute element Jacobian determinant PURE FUNCTION detJ2DCyl(pDer) RESULT(dJ) IMPLICIT NONE @@ -936,7 +937,7 @@ MODULE moduleMesh2DCyl END FUNCTION detJ2DCyl - !Computes element Jacobian inverse matrix (without determinant) + !Compute element Jacobian inverse matrix (without determinant) PURE FUNCTION invJ2DCyl(pDer) RESULT(invJ) IMPLICIT NONE diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index 34474cd..fcd4647 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -60,13 +60,13 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: neighbourElement => neighbourElementTetra !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: calcVol => volumeTetra + PROCEDURE, PASS, PRIVATE:: vol => volumeTetra END TYPE meshCell3DCartTetra CONTAINS !NODE FUNCTIONS - !Inits node element + !Init node element SUBROUTINE initNode3DCart(self, n, r) USE moduleSpecies USE moduleRefParam @@ -102,8 +102,8 @@ MODULE moduleMesh3DCart END FUNCTION getCoord3DCart - !SURFACE FUNCTIONS - !Inits surface element + !EDGE FUNCTIONS + !Init surface element SUBROUTINE initEdge3DCartTria(self, n, p, bt, physicalSurface) USE moduleSpecies USE moduleBoundary @@ -168,6 +168,7 @@ MODULE moduleMesh3DCart END FUNCTION getNodes3DCartTria + !Calculate intersection between position and edge PURE FUNCTION intersection3DCartTria(self, r0) RESULT(r) IMPLICIT NONE @@ -186,7 +187,7 @@ MODULE moduleMesh3DCart END FUNCTION intersection3DCartTria - !Calculates a random position in the surface + !Calculate a random position in the surface FUNCTION randPosEdgeTria(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -222,7 +223,7 @@ MODULE moduleMesh3DCart !VOLUME FUNCTIONS !TETRA FUNCTIONS - !Inits tetrahedron element + !Init element SUBROUTINE initCellTetra(self, n, p, nodes) USE moduleRefParam IMPLICIT NONE @@ -232,11 +233,14 @@ MODULE moduleMesh3DCart INTEGER, INTENT(in):: p(:) TYPE(meshNodeCont), INTENT(in), TARGET:: nodes(:) REAL(8), DIMENSION(1:3):: r1, r2, r3, r4 !Positions of each node - REAL(8):: Xi(1:3), fPsi(1:4) - REAL(8):: volNodes(1:4) !Cellume of each node + !Assign node index self%n = n + + !Assign number of nodes of cell self%nNodes = SIZE(p) + + !Assign nodes to element self%n1 => nodes(p(1))%obj self%n2 => nodes(p(2))%obj self%n3 => nodes(p(3))%obj @@ -251,16 +255,7 @@ MODULE moduleMesh3DCart self%z = (/r1(3), r2(3), r3(3), r4(3)/) !Computes the element volume - CALL self%calcVol() - - !Assign proportional volume to each node - Xi = (/0.25D0, 0.25D0, 0.25D0/) - fPsi = self%fPsi(Xi, 4) - volNodes = fPsi*self%volume - self%n1%v = self%n1%v + volNodes(1) - self%n2%v = self%n2%v + volNodes(2) - self%n3%v = self%n3%v + volNodes(3) - self%n4%v = self%n4%v + volNodes(4) + CALL self%vol() CALL OMP_INIT_LOCK(self%lock) @@ -269,6 +264,7 @@ MODULE moduleMesh3DCart END SUBROUTINE initCellTetra + !Gets node indexes from cell PURE FUNCTION getNodesTetra(self, nNodes) RESULT(n) IMPLICIT NONE @@ -280,7 +276,7 @@ MODULE moduleMesh3DCart END FUNCTION getNodesTetra - !Random position in volume tetrahedron + !Random position in cell FUNCTION randPosCellTetra(self) RESULT(r) USE moduleRandom IMPLICIT NONE @@ -302,7 +298,7 @@ MODULE moduleMesh3DCart END FUNCTION randPosCellTetra - !Computes element functions in point Xi + !Compute element functions in point Xi PURE FUNCTION fPsiTetra(Xi, nNodes) RESULT(fPsi) IMPLICIT NONE @@ -317,7 +313,7 @@ MODULE moduleMesh3DCart END FUNCTION fPsiTetra - !Derivative element function at coordinates Xi + !Compute element derivative functions in point Xi PURE FUNCTION dPsiTetra(Xi, nNodes) RESULT(dPsi) IMPLICIT NONE @@ -333,7 +329,7 @@ MODULE moduleMesh3DCart END FUNCTION dPsiTetra - !Computes the derivatives in global coordinates + !Compute the derivatives in global coordinates PURE FUNCTION partialDerTetra(self, nNodes, dPsi) RESULT(pDer) IMPLICIT NONE @@ -358,6 +354,7 @@ MODULE moduleMesh3DCart END FUNCTION partialDerTetra + !Gather electric field at position Xi PURE FUNCTION gatherEFTetra(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self @@ -374,6 +371,7 @@ MODULE moduleMesh3DCart END FUNCTION gatherEFTetra + !Gather magnetic field at position Xi PURE FUNCTION gatherMFTetra(self, Xi) RESULT(array) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(in):: self @@ -400,6 +398,7 @@ MODULE moduleMesh3DCart END FUNCTION gatherMFTetra + !Compute cell local stiffness matrix PURE FUNCTION elemKTetra(self, nNodes) RESULT(localK) IMPLICIT NONE @@ -424,6 +423,7 @@ MODULE moduleMesh3DCart END FUNCTION elemKTetra + !Compute element local source vector PURE FUNCTION elemFTetra(self, nNodes, source) RESULT(localF) IMPLICIT NONE @@ -448,6 +448,7 @@ MODULE moduleMesh3DCart END FUNCTION elemFTetra + !Check if Xi is inside the element PURE FUNCTION insideTetra(Xi) RESULT(ins) IMPLICIT NONE @@ -461,6 +462,7 @@ MODULE moduleMesh3DCart END FUNCTION insideTetra + !Transform physical coordinates to element coordinates PURE FUNCTION phy2logTetra(self,r) RESULT(Xi) IMPLICIT NONE @@ -472,6 +474,7 @@ MODULE moduleMesh3DCart REAL(8):: invJ(1:3, 1:3), detJ REAL(8):: deltaR(1:3) + !Direct method to convert coordinates Xi = 0.D0 deltaR = (/r(1) - self%x(1), r(2) - self%y(1), r(3) - self%z(1) /) dPsi = self%dPsi(Xi, 4) @@ -482,6 +485,7 @@ MODULE moduleMesh3DCart END FUNCTION phy2logTetra + !Get the neighbour cell for a logical position Xi SUBROUTINE neighbourElementTetra(self, Xi, neighbourElement) IMPLICIT NONE @@ -508,25 +512,35 @@ MODULE moduleMesh3DCart END SUBROUTINE neighbourElementTetra - !Computes the element volume + !Calculate volume for triangular element PURE SUBROUTINE volumeTetra(self) IMPLICIT NONE CLASS(meshCell3DCartTetra), INTENT(inout):: self REAL(8):: Xi(1:3) - REAL(8):: dPsi(1:3, 1:4) - REAL(8):: pDer(1:3, 1:3) + REAL(8):: detJ + REAL(8):: fPsi(1:4) + REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) self%volume = 0.D0 + !2D 1 point Gauss Quad Integral Xi = (/0.25D0, 0.25D0, 0.25D0/) dPsi = self%dPsi(Xi, 4) pDer = self%partialDer(4, dPsi) - self%volume = self%detJac(pDer) + detJ = self%detJac(pDer) + !Computes total volume of the cell + self%volume = detJ + !Computes volume per node + fPsi = self%fPsi(Xi, 4) + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume + self%n3%v = self%n3%v + fPsi(3)*self%volume + self%n4%v = self%n4%v + fPsi(4)*self%volume END SUBROUTINE volumeTetra !COMMON FUNCTIONS FOR CARTESIAN VOLUME ELEMENTS IN 3D - !Computes element Jacobian determinant + !Compute element Jacobian determinant PURE FUNCTION detJ3DCart(pDer) RESULT(dJ) IMPLICIT NONE @@ -539,6 +553,7 @@ MODULE moduleMesh3DCart END FUNCTION detJ3DCart + !Compute element Jacobian inverse matrix (without determinant) PURE FUNCTION invJ3DCart(pDer) RESULT(invJ) IMPLICIT NONE @@ -561,7 +576,37 @@ MODULE moduleMesh3DCart END FUNCTION invJ3DCart - !Selects type of elements to build connection + SUBROUTINE connectMesh3DCart(self) + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(inout):: self + INTEGER:: e, et + + DO e = 1, self%numCells + !Connect Cell-Cell + DO et = 1, self%numCells + IF (e /= et) THEN + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) + + END IF + + END DO + + SELECT TYPE(self) + TYPE IS(meshParticles) + !Connect Cell-Edge + DO et = 1, self%numEdges + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) + + END DO + + END SELECT + + END DO + + END SUBROUTINE connectMesh3DCart + + !Select type of elements to build connection SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE @@ -601,36 +646,6 @@ MODULE moduleMesh3DCart END SUBROUTINE connectCellEdge - SUBROUTINE connectMesh3DCart(self) - IMPLICIT NONE - - CLASS(meshGeneric), INTENT(inout):: self - INTEGER:: e, et - - DO e = 1, self%numCells - !Connect Cell-Cell - DO et = 1, self%numCells - IF (e /= et) THEN - CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) - - END IF - - END DO - - SELECT TYPE(self) - TYPE IS(meshParticles) - !Connect Cell-Edge - DO et = 1, self%numEdges - CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) - - END DO - - END SELECT - - END DO - - END SUBROUTINE connectMesh3DCart - !Checks if two sets of nodes are coincidend in any order PURE FUNCTION coincidentNodes(nodesA, nodesB) RESULT(coincident) IMPLICIT NONE diff --git a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 index 37dbf82..d968ba3 100644 --- a/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshInput0D.f90 @@ -64,10 +64,9 @@ MODULE moduleMeshInput0D END SUBROUTINE read0D - SUBROUTINE readInitial0D(sp, filename, density, velocity, temperature) + SUBROUTINE readInitial0D(filename, density, velocity, temperature) IMPLICIT NONE - INTEGER, INTENT(in):: sp CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index aae2216..ae1fe05 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -321,10 +321,9 @@ MODULE moduleMeshInputGmsh2 END SUBROUTINE readGmsh2 !Reads the initial information from an output file for an species - SUBROUTINE readInitialGmsh2(sp, filename, density, velocity, temperature) + SUBROUTINE readInitialGmsh2(filename, density, velocity, temperature) IMPLICIT NONE - INTEGER, INTENT(in):: sp CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 97ce691..f15f880 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -356,8 +356,7 @@ MODULE moduleMesh END SUBROUTINE readMesh_interface - SUBROUTINE readInitial_interface(sp, filename, density, velocity, temperature) - INTEGER, INTENT(in):: sp + SUBROUTINE readInitial_interface(filename, density, velocity, temperature) CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 713c091..517835e 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -159,8 +159,8 @@ MODULE moduleMeshBoundary newElectron%vol = part%vol newIon%vol = part%vol - newElectron%xi = mesh%cells(part%vol)%obj%phy2log(newElectron%r) - newIon%xi = newElectron%xi + newElectron%Xi = mesh%cells(part%vol)%obj%phy2log(newElectron%r) + newIon%Xi = newElectron%Xi newElectron%weight = part%weight newIon%weight = newElectron%weight diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index 224bfbb..ccca930 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -111,13 +111,13 @@ MODULE moduleCollisions IMPLICIT NONE REAL(8):: n(1:3) - REAL(8):: cosXii, sinXii, eps + REAL(8):: cosXi, sinXi, eps - cosXii = random(-1.D0, 1.D0) - sinXii = DSQRT(1.D0 - cosXii**2) + cosXi = random(-1.D0, 1.D0) + sinXi = DSQRT(1.D0 - cosXi**2) eps = random(0.D0, PI2) - n = (/ cosXii, sinXii*DCOS(eps), sinXii*DSIN(eps) /) + n = (/ cosXi, sinXi*DCOS(eps), sinXi*DSIN(eps) /) END FUNCTION randomDirectionVHS diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index d19ff28..ca7858c 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -40,7 +40,7 @@ MODULE moduleSpecies CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle INTEGER:: vol !Index of element in which the particle is located INTEGER:: volColl !Index of element in which the particle is located in the Collision Mesh - REAL(8):: xi(1:3) !Logical coordinates of particle in element e_p. + REAL(8):: Xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain REAL(8):: weight=0.D0 !weight of particle From 600480f5d53c4ce441a3080f956e1a6f1ab9246c Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 6 Jan 2023 21:37:26 +0100 Subject: [PATCH 079/203] Reduce overhead of probes I noticed that doProbes was causing some overhead even if no probes were being used. Now it should be fixed. --- src/modules/solver/moduleSolver.f90 | 15 ++++++++++++--- 1 file changed, 12 insertions(+), 3 deletions(-) diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 02932c9..af0a177 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -204,7 +204,10 @@ MODULE moduleSolver DO n = 1, partList%amount partNext => partCurr%next partArray(nStart + n) = partCurr%part - CALL doProbes(partArray(nStart+n)) + IF (nProbes > 0) THEN + CALL doProbes(partArray(nStart+n)) + + END IF DEALLOCATE(partCurr) partCurr => partNext @@ -270,7 +273,10 @@ MODULE moduleSolver IF (partInj(n)%n_in) THEN nn = nn + 1 partOld(nn) = partInj(n) - CALL doProbes(partOld(nn)) + IF (nProbes > 0) THEN + CALL doProbes(partOld(nn)) + + END IF END IF @@ -283,7 +289,10 @@ MODULE moduleSolver IF (partTemp(n)%n_in) THEN nn = nn + 1 partOld(nn) = partTemp(n) - CALL doProbes(partOld(nn)) + IF (nProbes > 0) THEN + CALL doProbes(partOld(nn)) + + END IF END IF From 22dff9ed6967d8c24353331952e59eb869b8d97e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 6 Jan 2023 22:36:55 +0100 Subject: [PATCH 080/203] Small style correction --- src/modules/solver/moduleSolver.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index af0a177..4ee6e7d 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -473,9 +473,9 @@ MODULE moduleSolver volOld => mesh%cells(part%vol)%obj CALL volOld%findCell(part) CALL findCellColl(part) - volNew => mesh%cells(part%vol)%obj !Call the NA shcme IF (ASSOCIATED(self%weightingScheme)) THEN + volNew => mesh%cells(part%vol)%obj CALL self%weightingScheme(part, volOld, volNew) END IF From 1c5b887a6d7b0221efd7fcceb072330406f0d7f4 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 7 Jan 2023 10:47:18 +0100 Subject: [PATCH 081/203] Small bugfix when testing examples While testing the examples distributed with the code, a few errors were found and fixed, mostly related with the K matrix in 1D geometry and reading values from initial conditions for species. --- runs/1D_Cathode/inputRad.json | 4 +- src/modules/init/moduleInput.f90 | 47 +++++++------------- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 6 +-- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 8 ++-- 4 files changed, 25 insertions(+), 40 deletions(-) diff --git a/runs/1D_Cathode/inputRad.json b/runs/1D_Cathode/inputRad.json index 34a09ce..824c0a8 100644 --- a/runs/1D_Cathode/inputRad.json +++ b/runs/1D_Cathode/inputRad.json @@ -31,10 +31,10 @@ ]} ], "boundaryEM": [ - {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} + {"name": "Cathode", "type": "dirichlet", "potential": 0.0, "physicalSurface": 1} ], "inject": [ - {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-2, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], + {"name": "Plasma Cat e", "species": "Electron", "flow": 2.64e-5, "units": "A", "v": 180000.0, "T": [ 2300.0, 2300.0, 2300.0], "velDist": ["Maxwellian", "Maxwellian", "Maxwellian"], "n": [ 1, 0, 0], "physicalSurface": 1} ], "solver": { diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index ff2cc4b..60f33ec 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -331,7 +331,8 @@ MODULE moduleInput REAL(8), ALLOCATABLE, DIMENSION(:,:):: velocity INTEGER, ALLOCATABLE, DIMENSION(:):: nodes INTEGER:: nNodes - REAL(8), ALLOCATABLE, DIMENSION(:):: source, fPsi + REAL(8), ALLOCATABLE, DIMENSION(:):: sourceScalar + REAL(8), ALLOCATABLE, DIMENSION(:,:):: sourceArray !Density at the volume centroid REAL(8):: densityCen !Mean velocity and temperature at particle position @@ -361,14 +362,10 @@ MODULE moduleInput !Density at centroid of cell nNodes = mesh%cells(e)%obj%nNodes nodes = mesh%cells(e)%obj%getNodes(nNodes) - ALLOCATE(fPsi(1:nNodes)) - fPsi = mesh%cells(e)%obj%fPsi((/0.D0, 0.D0, 0.D0/), nNodes) - ALLOCATE(source(1:nNodes)) - DO j = 1, nNodes - source(j) = density(nodes(j)) - - END DO - densityCen = DOT_PRODUCT(fPsi, source) + ALLOCATE(sourceScalar(1:nNodes)) + ALLOCATE(sourceArray(1:nNodes, 1:3)) + sourceScalar = density(nodes) + densityCen = mesh%cells(e)%obj%gatherF((/ 0.D0, 0.D0, 0.D0 /), nNodes, sourceScalar) !Calculate number of particles nNewPart = INT(densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) @@ -380,37 +377,23 @@ MODULE moduleInput partNew%r = mesh%cells(e)%obj%randPos() partNew%Xi = mesh%cells(e)%obj%phy2log(partNew%r) !Get mean velocity at particle position - fPsi = mesh%cells(e)%obj%fPsi(partNew%Xi, nNodes) - DO j = 1, nNodes - source(j) = velocity(nodes(j), 1) - - END DO - velocityXi(1) = DOT_PRODUCT(fPsi, source) - DO j = 1, nNodes - source(j) = velocity(nodes(j), 2) - - END DO - velocityXi(2) = DOT_PRODUCT(fPsi, source) - DO j = 1, nNodes - source(j) = velocity(nodes(j), 3) - - END DO - velocityXi(3) = DOT_PRODUCT(fPsi, source) + sourceArray(:,1) = velocity((nodes), 1) + sourceArray(:,2) = velocity((nodes), 2) + sourceArray(:,3) = velocity((nodes), 3) + velocityXi = mesh%cells(e)%obj%gatherF(partNew%Xi, nNodes, sourceArray) velocityXi = velocityXi / v_ref !Get temperature at particle position - DO j = 1, nNodes - source(j) = temperature(nodes(j)) - - END DO - temperatureXi = DOT_PRODUCT(fPsi, source) + sourceScalar = temperature(nodes) + temperatureXi = mesh%cells(e)%obj%gatherF(partNew%Xi, nNodes, sourceScalar) temperatureXi = temperatureXi / T_ref vTh = DSQRT(temperatureXi / species(sp)%obj%m) partNew%v(1) = velocityXi(1) + vTh*randomMaxwellian() partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() + partNew%vol = e IF (doubleMesh) THEN partNew%volColl = findCellBrute(meshColl, partNew%r) @@ -419,7 +402,9 @@ MODULE moduleInput partNew%volColl = partNew%vol END IF + partNew%n_in = .TRUE. + partNew%weight = species(sp)%obj%weight !Assign particle to temporal list of particles @@ -434,7 +419,7 @@ MODULE moduleInput END DO - DEALLOCATE(source) + DEALLOCATE(sourceScalar, sourceArray) END DO diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 82f43c2..2f8b7b8 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -324,7 +324,7 @@ MODULE moduleMesh1DCart REAL(8):: Xi(1:3) REAL(8):: dPsi(1:3, 1:2) REAL(8):: pDer(1:3, 1:3) - REAL(8):: invJ(1:3,1:3), detJ + REAL(8):: invJ(1:3, 1:3), detJ INTEGER:: l localK = 0.D0 @@ -337,8 +337,8 @@ MODULE moduleMesh1DCart pDer = self%partialDer(2, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) - localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & wSeg(l)/detJ END DO diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index c8ff414..81a8864 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -326,7 +326,7 @@ MODULE moduleMesh1DRad REAL(8):: dPsi(1:3, 1:2) REAL(8):: pDer(1:3, 1:3) REAL(8):: r - REAL(8):: invJ(1:3,1:3), detJ + REAL(8):: invJ(1:3, 1:3), detJ INTEGER:: l localK = 0.D0 @@ -339,9 +339,9 @@ MODULE moduleMesh1DRad pDer = self%partialDer(2, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) - r = self%gatherF(Xi, 4, self%r) - localK = localK + MATMUL(RESHAPE(MATMUL(invJ,dPsi), (/ 2, 1/)), & - RESHAPE(MATMUL(invJ,dPsi), (/ 1, 2/)))* & + r = self%gatherF(Xi, 2, self%r) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)), & + MATMUL(invJ,dPsi))* & r*wSeg(l)/detJ END DO From 7ce1b7a4dd446919d6b5686d80493dab334a487d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 7 Jan 2023 12:12:37 +0100 Subject: [PATCH 082/203] Reducing overhead when no collisions are present Particles are added to lists only if there are MCC collisions. Hopefully this will reduce overhead when OpenMP is used and no collisions are active. --- src/fpakc.f90 | 10 ++- src/modules/init/moduleInput.f90 | 37 +++++---- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 22 +++--- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 22 +++--- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 8 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 8 +- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 4 +- src/modules/mesh/moduleMesh.f90 | 38 ++++++---- src/modules/mesh/moduleMeshBoundary.f90 | 6 +- src/modules/moduleInject.f90 | 8 +- src/modules/moduleSpecies.f90 | 4 +- src/modules/solver/moduleSolver.f90 | 79 +++++++++++--------- src/modules/solver/pusher/modulePusher.f90 | 10 +-- 13 files changed, 142 insertions(+), 114 deletions(-) diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 1224f53..3a8a033 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -74,7 +74,10 @@ PROGRAM fpakc tColl = omp_get_wtime() !$OMP END SINGLE - IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%doCollisions(t) + IF (doMCC) THEN + CALL meshForMCC%doCollisions(t) + + END IF !$OMP SINGLE tColl = omp_get_wtime() - tColl @@ -83,7 +86,10 @@ PROGRAM fpakc tCoul = omp_get_wTime() !$OMP END SINGLE - IF (ASSOCIATED(mesh%doCoulomb)) CALL mesh%doCoulomb() + IF (ASSOCIATED(mesh%doCoulomb)) THEN + CALL mesh%doCoulomb() + + END IF !$OMP SINGLE tCoul = omp_get_wTime() - tCoul diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 60f33ec..81ababd 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -338,7 +338,7 @@ MODULE moduleInput !Mean velocity and temperature at particle position REAL(8):: velocityXi(1:3), temperatureXi INTEGER:: nNewPart = 0.D0 - CLASS(meshCell), POINTER:: vol + CLASS(meshCell), POINTER:: cell TYPE(particle), POINTER:: partNew REAL(8):: vTh TYPE(lNode), POINTER:: partCurr, partNext @@ -394,12 +394,12 @@ MODULE moduleInput partNew%v(2) = velocityXi(2) + vTh*randomMaxwellian() partNew%v(3) = velocityXi(3) + vTh*randomMaxwellian() - partNew%vol = e + partNew%cell = e IF (doubleMesh) THEN - partNew%volColl = findCellBrute(meshColl, partNew%r) + partNew%cellColl = findCellBrute(meshColl, partNew%r) ELSE - partNew%volColl = partNew%vol + partNew%cellColl = partNew%cell END IF @@ -411,11 +411,14 @@ MODULE moduleInput CALL partInitial%add(partNew) !Assign particle to list in volume - vol => meshforMCC%cells(partNew%volColl)%obj - CALL OMP_SET_LOCK(vol%lock) - CALL vol%listPart_in(sp)%add(partNew) - vol%totalWeight(sp) = vol%totalWeight(sp) + partNew%weight - CALL OMP_UNSET_LOCK(vol%lock) + IF (doMCC) THEN + cell => meshforMCC%cells(partNew%cellColl)%obj + CALL OMP_SET_LOCK(cell%lock) + CALL cell%listPart_in(sp)%add(partNew) + cell%totalWeight(sp) = cell%totalWeight(sp) + partNew%weight + CALL OMP_UNSET_LOCK(cell%lock) + + END IF END DO @@ -628,7 +631,7 @@ MODULE moduleInput REAL(8):: energyThreshold, energyBinding CHARACTER(:), ALLOCATABLE:: electron INTEGER:: e - CLASS(meshCell), POINTER:: vol + CLASS(meshCell), POINTER:: cell !Firstly, check if the object 'interactions' exists CALL config%info('interactions', found) @@ -725,17 +728,17 @@ MODULE moduleInput !Init the required arrays in each volume to account for MCC. DO e = 1, meshForMCC%numCells - vol => meshForMCC%cells(e)%obj + cell => meshForMCC%cells(e)%obj !Allocate Maximum cross section per collision pair and assign the initial collision rate - ALLOCATE(vol%sigmaVrelMax(1:nCollPairs)) - vol%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) + ALLOCATE(cell%sigmaVrelMax(1:nCollPairs)) + cell%sigmaVrelMax = sigmaVrel_ref/(L_ref**2 * v_ref) IF (collOutput) THEN - ALLOCATE(vol%tallyColl(1:nCollPairs)) + ALLOCATE(cell%tallyColl(1:nCollPairs)) DO k = 1, nCollPairs - ALLOCATE(vol%tallyColl(k)%tally(1:interactionmatrix(k)%amount)) - vol%tallyColl(k)%tally = 0 + ALLOCATE(cell%tallyColl(k)%tally(1:interactionmatrix(k)%amount)) + cell%tallyColl(k)%tally = 0 END DO @@ -892,6 +895,8 @@ MODULE moduleInput END IF + doMCC = ASSOCIATED(meshForMCC) + !Get the dimension of the geometry CALL config%get(object // '.dimension', mesh%dimen, found) IF (.NOT. found) THEN diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 2f8b7b8..269f157 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -59,7 +59,7 @@ MODULE moduleMesh1DCart PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: neighbourElement => neighbourElementSegm !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeSegm + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeSegm END TYPE meshCell1DCartSegm @@ -193,7 +193,7 @@ MODULE moduleMesh1DCart self%x = (/ r1(1), r2(1) /) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) @@ -419,7 +419,7 @@ MODULE moduleMesh1DCart END SUBROUTINE neighbourElementSegm - !Compute element vol + !Compute element volume PURE SUBROUTINE volumeSegm(self) IMPLICIT NONE @@ -478,10 +478,10 @@ MODULE moduleMesh1DCart INTEGER:: e, et DO e = 1, self%numCells - !Connect Vol-Vol + !Connect Cell-Cell DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -489,9 +489,9 @@ MODULE moduleMesh1DCart SELECT TYPE(self) TYPE IS(meshParticles) - !Connect Vol-Edge + !Connect Cell-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -501,7 +501,7 @@ MODULE moduleMesh1DCart END SUBROUTINE connectMesh1DCart - SUBROUTINE connectVolVol(elemA, elemB) + SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -517,7 +517,7 @@ MODULE moduleMesh1DCart END SELECT - END SUBROUTINE connectVolVol + END SUBROUTINE connectCellCell SUBROUTINE connectSegmSegm(elemA, elemB) IMPLICIT NONE @@ -542,7 +542,7 @@ MODULE moduleMesh1DCart END SUBROUTINE connectSegmSegm - SUBROUTINE connectVolEdge(elemA, elemB) + SUBROUTINE connectCellEdge(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -558,7 +558,7 @@ MODULE moduleMesh1DCart END SELECT - END SUBROUTINE connectVolEdge + END SUBROUTINE connectCellEdge SUBROUTINE connectSegmEdge(elemA, elemB) IMPLICIT NONE diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index 81a8864..d998267 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -59,7 +59,7 @@ MODULE moduleMesh1DRad PROCEDURE, PASS:: phy2log => phy2logSegm PROCEDURE, PASS:: neighbourElement => neighbourElementSegm !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeSegm + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeSegm END TYPE meshCell1DRadSegm @@ -193,7 +193,7 @@ MODULE moduleMesh1DRad self%r = (/ r1(1), r2(1) /) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) @@ -427,7 +427,7 @@ MODULE moduleMesh1DRad END SUBROUTINE neighbourElementSegm - !Compute element vol + !Compute element volume PURE SUBROUTINE volumeSegm(self) USE moduleConstParam, ONLY: PI4 IMPLICIT NONE @@ -493,10 +493,10 @@ MODULE moduleMesh1DRad INTEGER:: e, et DO e = 1, self%numCells - !Connect Vol-Vol + !Connect Cell-Cell DO et = 1, self%numCells IF (e /= et) THEN - CALL connectVolVol(self%cells(e)%obj, self%cells(et)%obj) + CALL connectCellCell(self%cells(e)%obj, self%cells(et)%obj) END IF @@ -504,9 +504,9 @@ MODULE moduleMesh1DRad SELECT TYPE(self) TYPE IS(meshParticles) - !Connect Vol-Edge + !Connect Cell-Edge DO et = 1, self%numEdges - CALL connectVolEdge(self%cells(e)%obj, self%edges(et)%obj) + CALL connectCellEdge(self%cells(e)%obj, self%edges(et)%obj) END DO @@ -516,7 +516,7 @@ MODULE moduleMesh1DRad END SUBROUTINE connectMesh1DRad - SUBROUTINE connectVolVol(elemA, elemB) + SUBROUTINE connectCellCell(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -532,7 +532,7 @@ MODULE moduleMesh1DRad END SELECT - END SUBROUTINE connectVolVol + END SUBROUTINE connectCellCell SUBROUTINE connectSegmSegm(elemA, elemB) IMPLICIT NONE @@ -557,7 +557,7 @@ MODULE moduleMesh1DRad END SUBROUTINE connectSegmSegm - SUBROUTINE connectVolEdge(elemA, elemB) + SUBROUTINE connectCellEdge(elemA, elemB) IMPLICIT NONE CLASS(meshCell), INTENT(inout):: elemA @@ -573,7 +573,7 @@ MODULE moduleMesh1DRad END SELECT - END SUBROUTINE connectVolEdge + END SUBROUTINE connectCellEdge SUBROUTINE connectSegmEdge(elemA, elemB) IMPLICIT NONE diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index cba0cdf..c02078a 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -66,7 +66,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: neighbourElement => neighbourElementQuad !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeQuad + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeQuad END TYPE meshCell2DCartQuad @@ -97,7 +97,7 @@ MODULE moduleMesh2DCart PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: neighbourElement => neighbourElementTria !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeTria + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeTria END TYPE meshCell2DCartTria @@ -267,7 +267,7 @@ MODULE moduleMesh2DCart self%y = (/r1(2), r2(2), r3(2), r4(2)/) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) @@ -609,7 +609,7 @@ MODULE moduleMesh2DCart self%x = (/r1(1), r2(1), r3(1)/) self%y = (/r1(2), r2(2), r3(2)/) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index c2b0674..307f71c 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -66,7 +66,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logQuad PROCEDURE, PASS:: neighbourElement => neighbourElementQuad !PARTICLUAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeQuad + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeQuad END TYPE meshCell2DCylQuad @@ -97,7 +97,7 @@ MODULE moduleMesh2DCyl PROCEDURE, PASS:: phy2log => phy2logTria PROCEDURE, PASS:: neighbourElement => neighbourElementTria !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeTria + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeTria END TYPE meshCell2DCylTria @@ -275,7 +275,7 @@ MODULE moduleMesh2DCyl self%r = (/r1(2), r2(2), r3(2), r4(2)/) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) @@ -636,7 +636,7 @@ MODULE moduleMesh2DCyl self%z = (/r1(1), r2(1), r3(1)/) self%r = (/r1(2), r2(2), r3(2)/) !Assign node volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index fcd4647..c451689 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -60,7 +60,7 @@ MODULE moduleMesh3DCart PROCEDURE, PASS:: phy2log => phy2logTetra PROCEDURE, PASS:: neighbourElement => neighbourElementTetra !PARTICULAR PROCEDURES - PROCEDURE, PASS, PRIVATE:: vol => volumeTetra + PROCEDURE, PASS, PRIVATE:: calculateVolume => volumeTetra END TYPE meshCell3DCartTetra @@ -255,7 +255,7 @@ MODULE moduleMesh3DCart self%z = (/r1(3), r2(3), r3(3), r4(3)/) !Computes the element volume - CALL self%vol() + CALL self%calculateVolume() CALL OMP_INIT_LOCK(self%lock) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index f15f880..7482842 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -480,6 +480,8 @@ MODULE moduleMesh !Logical to indicate if an specific mesh for MC Collisions is used LOGICAL:: doubleMesh + !Logical to indicate if MCC collisions are performed + LOGICAL:: doMCC !Complete path for the two meshes CHARACTER(:), ALLOCATABLE:: pathMeshColl, pathMeshParticle @@ -644,15 +646,18 @@ MODULE moduleMesh Xi = self%phy2log(part%r) !Checks if particle is inside 'self' cell IF (self%inside(Xi)) THEN - part%vol = self%n + part%cell = self%n part%Xi = Xi part%n_in = .TRUE. !Assign particle to listPart_in - CALL OMP_SET_LOCK(self%lock) - sp = part%species%n - CALL self%listPart_in(sp)%add(part) - self%totalWeight(sp) = self%totalWeight(sp) + part%weight - CALL OMP_UNSET_LOCK(self%lock) + IF (doMCC) THEN + CALL OMP_SET_LOCK(self%lock) + sp = part%species%n + CALL self%listPart_in(sp)%add(part) + self%totalWeight(sp) = self%totalWeight(sp) + part%weight + CALL OMP_UNSET_LOCK(self%lock) + + END IF ELSE !If not, searches for a neighbour and repeats the process. @@ -688,14 +693,14 @@ MODULE moduleMesh END SUBROUTINE findCell - !If Coll and Particle are the same, simply copy the part%vol into part%volColl + !If Coll and Particle are the same, simply copy the part%cell into part%cellColl SUBROUTINE findCellSameMesh(part) USE moduleSpecies IMPLICIT NONE TYPE(particle), INTENT(inout):: part - part%volColl = part%vol + part%cellColl = part%cell END SUBROUTINE findCellSameMesh @@ -715,16 +720,19 @@ MODULE moduleMesh found = .FALSE. - cell => meshColl%cells(part%volColl)%obj + cell => meshColl%cells(part%cellColl)%obj DO WHILE(.NOT. found) Xi = cell%phy2log(part%r) IF (cell%inside(Xi)) THEN - part%volColl = cell%n - CALL OMP_SET_LOCK(cell%lock) - sp = part%species%n - CALL cell%listPart_in(sp)%add(part) - cell%totalWeight(sp) = cell%totalWeight(sp) + part%weight - CALL OMP_UNSET_LOCK(cell%lock) + part%cellColl = cell%n + IF (doMCC) THEN + CALL OMP_SET_LOCK(cell%lock) + sp = part%species%n + CALL cell%listPart_in(sp)%add(part) + cell%totalWeight(sp) = cell%totalWeight(sp) + part%weight + CALL OMP_UNSET_LOCK(cell%lock) + + END IF found = .TRUE. ELSE diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 517835e..6120111 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -156,10 +156,10 @@ MODULE moduleMeshBoundary newElectron%r = edge%randPos() newIon%r = newElectron%r - newElectron%vol = part%vol - newIon%vol = part%vol + newElectron%cell = part%cell + newIon%cell = part%cell - newElectron%Xi = mesh%cells(part%vol)%obj%phy2log(newElectron%r) + newElectron%Xi = mesh%cells(part%cell)%obj%phy2log(newElectron%r) newIon%Xi = newElectron%Xi newElectron%weight = part%weight diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 050ad52..daa3846 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -285,16 +285,16 @@ MODULE moduleInject partInj(n)%r = randomEdge%randPos() !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN - partInj(n)%vol = randomEdge%e1%n + partInj(n)%cell = randomEdge%e1%n ELSEIF (ASSOCIATED(randomEdge%e2)) THEN - partInj(n)%vol = randomEdge%e2%n + partInj(n)%cell = randomEdge%e2%n ELSE CALL criticalError("No Volume associated to edge", 'addParticles') END IF - partInj(n)%volColl = randomEdge%eColl%n + partInj(n)%cellColl = randomEdge%eColl%n sp = self%species%n !Assign particle type @@ -305,7 +305,7 @@ MODULE moduleInject self%v(3)%obj%randomVel() /) !Obtain natural coordinates of particle in cell - partInj(n)%Xi = mesh%cells(partInj(n)%vol)%obj%phy2log(partInj(n)%r) + partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) !Assign cell to new particle diff --git a/src/modules/moduleSpecies.f90 b/src/modules/moduleSpecies.f90 index ca7858c..ab08f08 100644 --- a/src/modules/moduleSpecies.f90 +++ b/src/modules/moduleSpecies.f90 @@ -38,8 +38,8 @@ MODULE moduleSpecies REAL(8):: r(1:3) !Position REAL(8):: v(1:3) !Velocity CLASS(speciesGeneric), POINTER:: species !Pointer to species associated with this particle - INTEGER:: vol !Index of element in which the particle is located - INTEGER:: volColl !Index of element in which the particle is located in the Collision Mesh + INTEGER:: cell !Index of element in which the particle is located + INTEGER:: cellColl !Index of element in which the particle is located in the Collision Mesh REAL(8):: Xi(1:3) !Logical coordinates of particle in element e_p. LOGICAL:: n_in !Flag that indicates if a particle is in the domain REAL(8):: weight=0.D0 !weight of particle diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 4ee6e7d..e557495 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -43,14 +43,14 @@ MODULE moduleSolver END SUBROUTINE solveEM_interface !Apply nonAnalogue scheme to a particle - SUBROUTINE weightingScheme_interface(part, volOld, volNew) + SUBROUTINE weightingScheme_interface(part, cellOld, cellNew) USE moduleSpecies USE moduleMesh IMPLICIT NONE TYPE(particle), INTENT(inout):: part - CLASS(meshCell), POINTER, INTENT(in):: volOld - CLASS(meshCell), POINTER, INTENT(inout):: volNew + CLASS(meshCell), POINTER, INTENT(in):: cellOld + CLASS(meshCell), POINTER, INTENT(inout):: cellNew END SUBROUTINE weightingScheme_interface @@ -322,31 +322,37 @@ MODULE moduleSolver !$OMP SECTION !Erase the list of particles inside the cell if particles have been pushed - DO s = 1, nSpecies - DO e = 1, mesh%numCells - IF (solver%pusher(s)%pushSpecies) THEN - CALL mesh%cells(e)%obj%listPart_in(s)%erase() - mesh%cells(e)%obj%totalWeight(s) = 0.D0 + IF (doMCC) THEN + DO s = 1, nSpecies + DO e = 1, mesh%numCells + IF (solver%pusher(s)%pushSpecies) THEN + CALL mesh%cells(e)%obj%listPart_in(s)%erase() + mesh%cells(e)%obj%totalWeight(s) = 0.D0 - END IF + END IF + + END DO END DO - END DO + END IF !$OMP SECTION !Erase the list of particles inside the cell in coll mesh - DO s = 1, nSpecies - DO e = 1, meshColl%numCells - IF (solver%pusher(s)%pushSpecies) THEN - CALL meshColl%cells(e)%obj%listPart_in(s)%erase() - meshColl%cells(e)%obj%totalWeight(s) = 0.D0 + IF (doubleMesh) THEN + DO s = 1, nSpecies + DO e = 1, meshColl%numCells + IF (solver%pusher(s)%pushSpecies) THEN + CALL meshColl%cells(e)%obj%listPart_in(s)%erase() + meshColl%cells(e)%obj%totalWeight(s) = 0.D0 - END IF + END IF + + END DO END DO - - END DO + + END IF !$OMP END SECTIONS @@ -368,7 +374,7 @@ MODULE moduleSolver !Loops over the particles to scatter them !$OMP DO DO n = 1, nPartOld - cell => mesh%cells(partOld(n)%vol)%obj + cell => mesh%cells(partOld(n)%cell)%obj CALL cell%scatter(cell%nNodes, partOld(n)) END DO @@ -387,28 +393,28 @@ MODULE moduleSolver END SUBROUTINE doEMField !Split particles as a function of cell volume and splits particle - SUBROUTINE volumeWScheme(part, volOld, volNew) + SUBROUTINE volumeWScheme(part, cellOld, cellNew) USE moduleSpecies USE moduleMesh USE moduleRandom IMPLICIT NONE TYPE(particle), INTENT(inout):: part - CLASS(meshCell), POINTER, INTENT(in):: volOld - CLASS(meshCell), POINTER, INTENT(inout):: volNew + CLASS(meshCell), POINTER, INTENT(in):: cellOld + CLASS(meshCell), POINTER, INTENT(inout):: cellNew REAL(8):: fractionVolume, pSplit !If particle changes volume to smaller cell - IF (volOld%volume > volNew%volume .AND. & + IF (cellOld%volume > cellNew%volume .AND. & part%weight >= part%species%weight*1.0D-1) THEN - fractionVolume = volOld%volume/volNew%volume + fractionVolume = cellOld%volume/cellNew%volume !Calculate probability of splitting particle pSplit = 1.D0 - DEXP(-fractionVolume*1.0D-1) IF (random() < pSplit) THEN !Split particle in two - CALL splitParticle(part, 2, volNew) + CALL splitParticle(part, 2, cellNew) END IF @@ -418,7 +424,7 @@ MODULE moduleSolver !Subroutine to split the particle 'part' into a number 'nSplit' of particles. !'nSplit-1' particles are added to the partNAScheme list - SUBROUTINE splitParticle(part, nSplit, vol) + SUBROUTINE splitParticle(part, nSplit, cell) USE moduleSpecies USE moduleList USE moduleMesh @@ -427,7 +433,7 @@ MODULE moduleSolver TYPE(particle), INTENT(inout):: part INTEGER, INTENT(in):: nSplit - CLASS(meshCell), INTENT(inout):: vol + CLASS(meshCell), INTENT(inout):: cell REAL(8):: newWeight TYPE(particle), POINTER:: newPart INTEGER:: p @@ -449,10 +455,13 @@ MODULE moduleSolver CALL partWScheme%add(newPart) CALL partWScheme%unsetLock() !Add particle to cell list - CALL OMP_SET_lock(vol%lock) sp = part%species%n - CALL vol%listPart_in(sp)%add(newPart) - CALL OMP_UNSET_lock(vol%lock) + IF (doMCC) THEN + CALL OMP_SET_lock(cell%lock) + CALL cell%listPart_in(sp)%add(newPart) + CALL OMP_UNSET_lock(cell%lock) + + END IF END DO @@ -465,18 +474,18 @@ MODULE moduleSolver CLASS(solverGeneric), INTENT(in):: self TYPE(particle), INTENT(inout):: part - CLASS(meshCell), POINTER:: volOld, volNew + CLASS(meshCell), POINTER:: cellOld, cellNew !Assume that particle is outside the domain part%n_in = .FALSE. - volOld => mesh%cells(part%vol)%obj - CALL volOld%findCell(part) + cellOld => mesh%cells(part%cell)%obj + CALL cellOld%findCell(part) CALL findCellColl(part) !Call the NA shcme IF (ASSOCIATED(self%weightingScheme)) THEN - volNew => mesh%cells(part%vol)%obj - CALL self%weightingScheme(part, volOld, volNew) + cellNew => mesh%cells(part%cell)%obj + CALL self%weightingScheme(part, cellOld, cellNew) END IF diff --git a/src/modules/solver/pusher/modulePusher.f90 b/src/modules/solver/pusher/modulePusher.f90 index c2aa46a..bc02912 100644 --- a/src/modules/solver/pusher/modulePusher.f90 +++ b/src/modules/solver/pusher/modulePusher.f90 @@ -23,7 +23,7 @@ MODULE modulePusher REAL(8):: qmEFt(1:3) !Get the electric field at particle position - qmEFT = mesh%cells(part%vol)%obj%gatherElectricField(part%Xi) + qmEFT = mesh%cells(part%cell)%obj%gatherElectricField(part%Xi) qmEFt = qmEFt*part%species%qm*tauMin !Update velocity @@ -50,14 +50,14 @@ MODULE modulePusher tauInHalf = tauIn *0.5D0 !Half of the force o f the electric field - qmEFT = mesh%cells(part%vol)%obj%gatherElectricField(part%Xi) + qmEFT = mesh%cells(part%cell)%obj%gatherElectricField(part%Xi) qmEFt = qmEFt*part%species%qm*tauInHalf !Half step for electrostatic v_minus = part%v + qmEFt !Full step rotation - B = mesh%cells(part%vol)%obj%gatherMagneticField(part%Xi) + B = mesh%cells(part%cell)%obj%gatherMagneticField(part%Xi) BNorm = NORM2(B) IF (BNorm > 0.D0) THEN fn = DTAN(part%species%qm * tauInHalf*BNorm) / BNorm @@ -126,7 +126,7 @@ MODULE modulePusher part_temp = part !Get electric field at particle position - qmEFT = mesh%cells(part_temp%vol)%obj%gatherElectricField(part_temp%Xi) + qmEFT = mesh%cells(part_temp%cell)%obj%gatherElectricField(part_temp%Xi) qmEFt = qmEFt*part_temp%species%qm*tauMin !z part_temp%v(1) = part%v(1) + qmEFt(1) @@ -202,7 +202,7 @@ MODULE modulePusher part_temp = part !Get electric field at particle position - qmEFT = mesh%cells(part_temp%vol)%obj%gatherElectricField(part_temp%Xi) + qmEFT = mesh%cells(part_temp%cell)%obj%gatherElectricField(part_temp%Xi) qmEFt = qmEFt*part_temp%species%qm*tauMin !r,theta v_p_oh_star(1) = part%v(1) + qmEFt(1) From cca57d5ab049f6d505ce506d99f42eb69a5f96dd Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 13 Jan 2023 15:32:25 +0100 Subject: [PATCH 083/203] Incorrect tau in electrostatic pushers During the improve performant step, an error in the electrostatic pushers was introduced, resulting in these using the minimum time step and not the species time step when calculating the acceleration. --- src/modules/solver/pusher/modulePusher.f90 | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/modules/solver/pusher/modulePusher.f90 b/src/modules/solver/pusher/modulePusher.f90 index bc02912..f75c733 100644 --- a/src/modules/solver/pusher/modulePusher.f90 +++ b/src/modules/solver/pusher/modulePusher.f90 @@ -24,7 +24,7 @@ MODULE modulePusher !Get the electric field at particle position qmEFT = mesh%cells(part%cell)%obj%gatherElectricField(part%Xi) - qmEFt = qmEFt*part%species%qm*tauMin + qmEFt = qmEFt*part%species%qm*tauIn !Update velocity part%v = part%v + qmEFt @@ -127,7 +127,7 @@ MODULE modulePusher part_temp = part !Get electric field at particle position qmEFT = mesh%cells(part_temp%cell)%obj%gatherElectricField(part_temp%Xi) - qmEFt = qmEFt*part_temp%species%qm*tauMin + qmEFt = qmEFt*part_temp%species%qm*tauIn !z part_temp%v(1) = part%v(1) + qmEFt(1) part_temp%r(1) = part%r(1) + part_temp%v(1)*tauIn @@ -203,7 +203,7 @@ MODULE modulePusher part_temp = part !Get electric field at particle position qmEFT = mesh%cells(part_temp%cell)%obj%gatherElectricField(part_temp%Xi) - qmEFt = qmEFt*part_temp%species%qm*tauMin + qmEFt = qmEFt*part_temp%species%qm*tauIn !r,theta v_p_oh_star(1) = part%v(1) + qmEFt(1) x_new = part%r(1) + v_p_oh_star(1)*tauIn From a0dfc55a69e0cb5292790801a5b021fb67e00c34 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 3 Feb 2023 10:52:49 +0100 Subject: [PATCH 084/203] Fix an issue in assigning cells in ionization Boundary This assigns the correct random cell when a particle is created from the ionization boundary. Also, the number of possible ionizations is reduced by one if there is a suscesful ionization. This has no impact on the results. --- src/modules/mesh/moduleMeshBoundary.f90 | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 6120111..4f72e10 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -156,8 +156,14 @@ MODULE moduleMeshBoundary newElectron%r = edge%randPos() newIon%r = newElectron%r - newElectron%cell = part%cell - newIon%cell = part%cell + IF (ASSOCIATED(edge%e1)) THEN + newElectron%cell = edge%e1%n + + ELSEIF (ASSOCIATED(edge%e2)) THEN + newElectron%cell = edge%e2%n + + END IF + newIon%cell = newElectron%cell newElectron%Xi = mesh%cells(part%cell)%obj%phy2log(newElectron%r) newIon%Xi = newElectron%Xi @@ -178,6 +184,9 @@ MODULE moduleMeshBoundary eRel = eRel - bound%eThreshold vRel = 2.D0*DSQRT(eRel)/mRel + !Reduce number of possible ionizations + nIonizations = nIonizations - 1 + END IF END DO From bc2c29092af7830b4b0b57eb9b30205687fffa68 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 3 Feb 2023 14:03:22 +0100 Subject: [PATCH 085/203] Injection of particles from surfaces direction Now, if no normal is provided to an injection in the input file, the velocity direction of the particles is chosen to be the surface normal. 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Array dimension $3$. Direction of injection. - This vector is normalized to $1$. + If no value is provided, the normal of the edge is used as the direction of injection. + This vector is normalized to $1$ by the code. \item \textbf{velDist}: Character. Array dimension $3$. Type of distribution function used to obtain injected particle velocity: diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 81ababd..0a33903 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1140,6 +1140,7 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: name REAL(8):: v REAL(8), ALLOCATABLE:: T(:), normal(:) + LOGICAL:: fixDirection REAL(8):: flow CHARACTER(:), ALLOCATABLE:: units INTEGER:: physicalSurface @@ -1160,11 +1161,18 @@ MODULE moduleInput CALL config%get(object // '.v', v, found) CALL config%get(object // '.T', T, found) CALL config%get(object // '.n', normal, found) + IF (found) THEN + fixDirection = .TRUE. + ELSE + fixDirection = .FALSE. + ALLOCATE(normal(1:3)) + normal = 0.D0 + END IF CALL config%get(object // '.flow', flow, found) CALL config%get(object // '.units', units, found) CALL config%get(object // '.physicalSurface', physicalSurface, found) - CALL inject(i)%init(i, v, normal, T, flow, units, sp, physicalSurface) + CALL inject(i)%init(i, v, normal, fixDirection, T, flow, units, sp, physicalSurface) CALL readVelDistr(config, inject(i), object) @@ -1240,13 +1248,12 @@ MODULE moduleInput SELECT CASE(fvType) CASE ("Maxwellian") - v = inj%vMod*inj%n(i) T = inj%T(i) - CALL initVelDistMaxwellian(inj%v(i)%obj, v, t, m) + CALL initVelDistMaxwellian(inj%v(i)%obj, t, m) CASE ("Delta") v = inj%vMod*inj%n(i) - CALL initVelDistDelta(inj%v(i)%obj, v) + CALL initVelDistDelta(inj%v(i)%obj) CASE DEFAULT CALL criticalError("No velocity distribution type " // fvType // " defined", 'readVelDistr') diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index daa3846..9a8e76f 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -29,7 +29,6 @@ MODULE moduleInject !Maxwellian distribution function TYPE, EXTENDS(velDistGeneric):: velDistMaxwellian - REAL(8):: v !Velocity REAL(8):: vTh !Thermal Velocity CONTAINS PROCEDURE, PASS:: randomVel => randomVelMaxwellian @@ -38,7 +37,6 @@ MODULE moduleInject !Dirac's delta distribution function TYPE, EXTENDS(velDistGeneric):: velDistDelta - REAL(8):: v !Velocity CONTAINS PROCEDURE, PASS:: randomVel => randomVelDelta @@ -51,6 +49,7 @@ MODULE moduleInject REAL(8):: vMod !Velocity (module) REAL(8):: T(1:3) !Temperature REAL(8):: n(1:3) !Direction of injection + LOGICAL:: fixDirection !The injection of particles has a fix direction defined by n INTEGER:: nParticles !Number of particles to introduce each time step CLASS(speciesGeneric), POINTER:: species !Species of injection INTEGER:: nEdges @@ -69,7 +68,7 @@ MODULE moduleInject CONTAINS !Initialize an injection of particles - SUBROUTINE initInject(self, i, v, n, T, flow, units, sp, physicalSurface) + SUBROUTINE initInject(self, i, v, n, fixDirection, T, flow, units, sp, physicalSurface) USE moduleMesh USE moduleRefParam USE moduleConstParam @@ -81,6 +80,7 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(inout):: self INTEGER, INTENT(in):: i REAL(8), INTENT(in):: v, n(1:3), T(1:3) + LOGICAL, INTENT(in):: fixDirection INTEGER, INTENT(in):: sp, physicalSurface REAL(8):: tauInject REAL(8), INTENT(in):: flow @@ -91,7 +91,12 @@ MODULE moduleInject self%id = i self%vMod = v / v_ref - self%n = n / NORM2(n) + IF (.NOT. fixDirection) THEN + self%n = n / NORM2(n) + ELSE + self%n = 0.D0 + END IF + self%fixDirection = fixDirection self%T = T / T_ref self%species => species(sp)%obj tauInject = tau(self%species%n) @@ -197,23 +202,22 @@ MODULE moduleInject END SUBROUTINE doInjects - SUBROUTINE initVelDistMaxwellian(velDist, v, T, m) + SUBROUTINE initVelDistMaxwellian(velDist, T, m) IMPLICIT NONE CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist - REAL(8), INTENT(in):: v, T, m + REAL(8), INTENT(in):: T, m - velDist = velDistMaxwellian(v = v, vTh = DSQRT(T/m)) + velDist = velDistMaxwellian(vTh = DSQRT(T/m)) END SUBROUTINE initVelDistMaxwellian - SUBROUTINE initVelDistDelta(velDist, v) + SUBROUTINE initVelDistDelta(velDist) IMPLICIT NONE CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist - REAL(8), INTENT(in):: v - velDist = velDistDelta(v = v) + velDist = velDistDelta() END SUBROUTINE initVelDistDelta @@ -226,7 +230,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - v = self%v + self%vTh*randomMaxwellian() + v = self%vTh*randomMaxwellian() END FUNCTION randomVelMaxwellian @@ -237,7 +241,7 @@ MODULE moduleInject CLASS(velDistDelta), INTENT(in):: self REAL(8):: v - v = self%v + v = 0.D0 END FUNCTION randomVelDelta @@ -256,6 +260,7 @@ MODULE moduleInject INTEGER:: i INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge + REAL(8):: direction(1:3) !Insert particles !$OMP SINGLE @@ -300,9 +305,20 @@ MODULE moduleInject !Assign particle type partInj(n)%species => self%species - partInj(n)%v = (/ self%v(1)%obj%randomVel(), & - self%v(2)%obj%randomVel(), & - self%v(3)%obj%randomVel() /) + IF (self%fixDirection) THEN + direction = self%n + + ELSE + direction = randomEdge%normal + + END IF + + partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & + self%v(2)%obj%randomVel(), & + self%v(3)%obj%randomVel() /) + + print *, direction + print*, partInj(n)%v !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) From 6c34dd8a05d4c9e0980fdaa9d1bc4bb0cb03cc3a Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 3 Feb 2023 15:11:36 +0100 Subject: [PATCH 086/203] Forgot to remove some print statements It is okay now. Sorry. --- src/modules/moduleInject.f90 | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 9a8e76f..e49fb04 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -317,9 +317,6 @@ MODULE moduleInject self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) - print *, direction - print*, partInj(n)%v - !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step From aca84d631228b0837fe848fe59ff92ef59432eb1 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 3 Feb 2023 20:14:53 +0100 Subject: [PATCH 087/203] First output in VTU format Testing new VTU format. For now, species information is ALWAYS output in .vtu (to test, this will be an independent format in the future). A .pvd file is produced to do time-series. Still to implement other outputs (electromagnetic, average, collisions...) Still to implement reading a mesh from .vtu file --- src/makefile | 1 + src/modules/makefile | 2 +- src/modules/mesh/inout/makefile | 5 +- src/modules/mesh/inout/vtk/makefile | 7 + .../mesh/inout/vtk/moduleMeshInputVTK.f90 | 3 + .../mesh/inout/vtk/moduleMeshOutputVTK.f90 | 224 ++++++++++++++++++ src/modules/solver/moduleSolver.f90 | 2 + 7 files changed, 242 insertions(+), 2 deletions(-) create mode 100644 src/modules/mesh/inout/vtk/makefile create mode 100644 src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 create mode 100644 src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 diff --git a/src/makefile b/src/makefile index 2a421f8..32c6569 100644 --- a/src/makefile +++ b/src/makefile @@ -5,6 +5,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o \ + $(OBJDIR)/moduleMeshInputVTK.o $(OBJDIR)/moduleMeshOutputVTK.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ diff --git a/src/modules/makefile b/src/modules/makefile index 254d015..743144f 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -11,7 +11,7 @@ common.o: output.o: moduleSpecies.o common.o $(MAKE) -C output all -mesh.o: moduleCollisions.o moduleBoundary.o output.o +mesh.o: moduleCollisions.o moduleBoundary.o output.o common.o $(MAKE) -C mesh all solver.o: moduleSpecies.o moduleProbe.o common.o output.o mesh.o diff --git a/src/modules/mesh/inout/makefile b/src/modules/mesh/inout/makefile index 2f73e73..81e15bc 100644 --- a/src/modules/mesh/inout/makefile +++ b/src/modules/mesh/inout/makefile @@ -1,4 +1,7 @@ -all: gmsh2.o 0D.o +all: vtk.o gmsh2.o 0D.o + +vtk.o: + $(MAKE) -C vtk all gmsh2.o: $(MAKE) -C gmsh2 all diff --git a/src/modules/mesh/inout/vtk/makefile b/src/modules/mesh/inout/vtk/makefile new file mode 100644 index 0000000..18a13a0 --- /dev/null +++ b/src/modules/mesh/inout/vtk/makefile @@ -0,0 +1,7 @@ +all: moduleMeshInputVTK.o moduleMeshOutputVTK.o + +moduleMeshInputVTK.o: moduleMeshOutputVTK.o moduleMeshInputVTK.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 new file mode 100644 index 0000000..a044b4f --- /dev/null +++ b/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 @@ -0,0 +1,3 @@ +MODULE moduleMeshInputVTK + +END MODULE moduleMeshInputVTK diff --git a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 new file mode 100644 index 0000000..efaf6e3 --- /dev/null +++ b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 @@ -0,0 +1,224 @@ +MODULE moduleMeshOutputVTK + + CONTAINS + + SUBROUTINE writeFileHeader(self, fileID) + USE moduleMesh + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: fileID + + WRITE(fileID,"(A)") '' + WRITE(fileID,"(2X, A)") '' + WRITE(fileID,"(4X, A,ES20.6E3,A)") '' + WRITE(fileID,"(6X, A, I10, A, I10, A)") '' + + END SUBROUTINE writeFileHeader + + SUBROUTINE writeFileFooter(fileID) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + + WRITE(fileID,"(6X, A)") '' + WRITE(fileID,"(4X, A)") '' + WRITE(fileID,"(2X, A)") '' + + END SUBROUTINE writeFileFooter + + FUNCTION getCellType(cell) RESULT(indexType) + USE moduleMesh3DCart + USE moduleMesh2DCyl + USE moduleMesh2DCart + USE moduleMesh1DRad + USE moduleMesh1DCart + USE moduleMesh0D + USE moduleErrors + IMPLICIT NONE + + CLASS(meshCell), INTENT(in):: cell + INTEGER:: indexType + + indexType = 0 + + SELECT TYPE(cell) + TYPE IS(meshCell3DCartTetra) + indexType = 10 + + TYPE IS(meshCell2DCylQuad) + indexType = 9 + + TYPE IS(meshCell2DCartQuad) + indexType = 9 + + TYPE IS(meshCell2DCylTria) + indexType = 5 + + TYPE IS(meshCell2DCartTria) + indexType = 5 + + TYPE IS(meshCell1DRadSegm) + indexType = 3 + + TYPE IS(meshCell1DCartSegm) + indexType = 3 + + TYPE IS(meshCell0D) + indexType = 1 + + CLASS DEFAULT + CALL criticalError('Cell not valid for VTK output', 'getCellType') + + END SELECT + + END FUNCTION getCellType + + SUBROUTINE writeFileMesh(self, fileID) + USE moduleMesh + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: fileID + CHARACTER(LEN=25):: nodeFormat + CHARACTER(LEN=25):: cellFormat + INTEGER:: e + INTEGER:: offset + + !Write nodes coordinates + WRITE(fileID, "(8X, A)") '' + WRITE(fileID, "(10X,A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" + WRITE(fileID, nodeFormat) (self%nodes(e)%obj%getCoordinates()*L_ref, e = 1, self%numNodes) + WRITE(fileID, "(10X, A)") '' + WRITE(fileID, "(8X, A)") '' + + WRITE(fileID, "(8X, A)") '' + !Write nodes connectivity of each cell + WRITE(fileID, "(10X,A)") '' + DO e = 1, self%numCells + WRITE(cellFormat, "(A,I1,A)") "(",self%cells(e)%obj%nNodes,"(I10))" + WRITE(fileID, cellFormat, advance="no") self%cells(e)%obj%getNodes(self%cells(e)%obj%nNodes) - 1 !Array starts on 0 + + END DO + WRITE(fileID, "(10X, A)") '' + !Write offset of each cell + offset = 0 + WRITE(fileID, "(10X,A)") '' + DO e = 1, self%numCells + WRITE(cellFormat, "(A,I1,A)") "(I10)" + offset = offset + self%cells(e)%obj%nNodes + WRITE(fileID, cellFormat, advance="no") offset + + END DO + WRITE(fileID, "(10X, A)") '' + !Write type of each cell + WRITE(fileID, "(10X,A)") '' + DO e = 1, self%numCells + WRITE(cellFormat, "(A,I1,A)") "(I10)" + WRITE(fileID, cellFormat, advance="no") getCellType(self%cells(e)%obj) + + END DO + WRITE(fileID, "(10X, A)") '' + WRITE(fileID, "(8X, A)") '' + + END SUBROUTINE writeFileMesh + + SUBROUTINE writeNodeData(self, fileID, output) + USE moduleMesh + USE moduleOutput + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: fileID + TYPE(outputFormat):: output(1:self%numNodes) + CHARACTER(LEN=25):: nodeFormat + INTEGER:: n + + WRITE(fileID,"(A)") '' + WRITE(fileID,"(A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileID,nodeFormat) (output(n)%density, n = 1, self%numNodes) + WRITE(fileID,"(A)") '' + WRITE(fileID,"(A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" + WRITE(fileID,nodeFormat) (output(n)%velocity(1:3), n = 1, self%numNodes) + WRITE(fileID,"(A)") '' + WRITE(fileID,"(A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileID,nodeFormat) (output(n)%pressure, n = 1, self%numNodes) + WRITE(fileID,"(A)") '' + WRITE(fileID,"(A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileID,nodeFormat) (output(n)%temperature, n = 1, self%numNodes) + WRITE(fileID,"(A)") '' + WRITE(fileID,"(A)") '' + + END SUBROUTINE writeNodeData + + SUBROUTINE printOutputVTK(self,t) + USE moduleMesh + USE moduleRefParam + USE moduleSpecies + USE moduleOutput + USE moduleCaseParam + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: n, i, fileID + CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection + CHARACTER (LEN=iterationDigits):: tstring + TYPE(outputFormat):: output(1:self%numNodes) + + fileID = 60 + + DO i = 1, nSpecies + WRITE(tstring, iterationFormat) t + fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.vtu' + + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (fileID, file = path // folder // '/' // fileName) + + fileNameCollection = 'OUTPUT_Collection_' // species(i)%obj%name // '.vtu' + IF (t == tInitial) THEN + !Create collection file + WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameCollection + OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection) + WRITE (fileID + 1, "(A)") '' + WRITE (fileID + 1, "(2X, A)") '' + CLOSE(fileID + 1) + + END IF + + OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection, ACCESS='APPEND') + WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)"), '' + + IF (t == tFinal) THEN + WRITE (fileID + 1, "(2X, A)") '' + WRITE (fileID + 1, "(A)") '' + + END IF + CLOSE(fileID + 1) + + CALL writeFileHeader(self, fileID) + + CALL writeFileMesh(self, fileID) + + DO n = 1, self%numNodes + CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) + + END DO + + CALL writeNodeData(self, fileID, output) + + CALL writeFileFooter(fileID) + + CLOSE(fileID) + + END DO + + END SUBROUTINE printOutputVTK + +END MODULE moduleMeshOutputVTK diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index e557495..813aeb3 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -514,6 +514,7 @@ MODULE moduleSolver USE moduleSpecies USE moduleCompTime USE moduleProbe + USE moduleMeshOutputVTK !TEMPORARY TO TEST VTK OUTPUT IMPLICIT NONE INTEGER, INTENT(in):: t @@ -527,6 +528,7 @@ MODULE moduleSolver CALL outputProbes(t) CALL mesh%printOutput(t) + CALL printOutputVTK(mesh, t) IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) CALL mesh%printEM(t) WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal From ceab516a5b9659ba538ae0f1dd430e9d67e03b28 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 4 Feb 2023 08:54:36 +0100 Subject: [PATCH 088/203] Correction on collection file The extension of the collection file has to be .pvd so that ParaView properly reads it. --- src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 index efaf6e3..9b1a442 100644 --- a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 +++ b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 @@ -181,7 +181,7 @@ MODULE moduleMeshOutputVTK WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (fileID, file = path // folder // '/' // fileName) - fileNameCollection = 'OUTPUT_Collection_' // species(i)%obj%name // '.vtu' + fileNameCollection = 'OUTPUT_Collection_' // species(i)%obj%name // '.pvd' IF (t == tInitial) THEN !Create collection file WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameCollection @@ -192,9 +192,11 @@ MODULE moduleMeshOutputVTK END IF + !Write iteration file in collection OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection, ACCESS='APPEND') WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)"), '' + !Close collection file IF (t == tFinal) THEN WRITE (fileID + 1, "(2X, A)") '' WRITE (fileID + 1, "(A)") '' From f1c0c5755f6922687025b8ebdd540176661a57fc Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 4 Feb 2023 12:31:33 +0100 Subject: [PATCH 089/203] Collisions and EM field in .vtu The collisions and EM field information is now available in .vtu files. A collection file .pvd is provided per dataset for time-dependent plotting. Still to do: Write average quantities in .vtu Read mesh from .vtu --- .../mesh/inout/vtk/moduleMeshOutputVTK.f90 | 290 ++++++++++++++---- src/modules/solver/moduleSolver.f90 | 4 +- 2 files changed, 233 insertions(+), 61 deletions(-) diff --git a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 index 9b1a442..203de0c 100644 --- a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 +++ b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 @@ -1,22 +1,44 @@ MODULE moduleMeshOutputVTK + CHARACTER(LEN=6):: prefix = 'OUTPUT' + CONTAINS - SUBROUTINE writeFileHeader(self, fileID) + PURE FUNCTION formatFileName(prefix, suffix, extension, t) RESULT(fileName) + USE moduleOutput + IMPLICIT NONE + + CHARACTER(*), INTENT(in):: prefix, suffix, extension + INTEGER, INTENT(in), OPTIONAL:: t + CHARACTER (LEN=iterationDigits):: tString + CHARACTER(:), ALLOCATABLE:: fileName + + IF (PRESENT(t)) THEN + WRITE(tString, iterationFormat) t + fileName = prefix // '_' // tString // '_' // suffix // '.' // extension + + ELSE + fileName = prefix // '_' // suffix // '.' // extension + + END IF + + END FUNCTION formatFileName + + SUBROUTINE writeHeader(nNodes, nCells, fileID) USE moduleMesh IMPLICIT NONE - CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: nNodes, nCells INTEGER, INTENT(in):: fileID WRITE(fileID,"(A)") '' WRITE(fileID,"(2X, A)") '' WRITE(fileID,"(4X, A,ES20.6E3,A)") '' - WRITE(fileID,"(6X, A, I10, A, I10, A)") '' + WRITE(fileID,"(6X, A, I10, A, I10, A)") '' - END SUBROUTINE writeFileHeader + END SUBROUTINE writeHeader - SUBROUTINE writeFileFooter(fileID) + SUBROUTINE writeFooter(fileID) IMPLICIT NONE INTEGER, INTENT(in):: fileID @@ -25,7 +47,7 @@ MODULE moduleMeshOutputVTK WRITE(fileID,"(4X, A)") '' WRITE(fileID,"(2X, A)") '' - END SUBROUTINE writeFileFooter + END SUBROUTINE writeFooter FUNCTION getCellType(cell) RESULT(indexType) USE moduleMesh3DCart @@ -74,12 +96,12 @@ MODULE moduleMeshOutputVTK END FUNCTION getCellType - SUBROUTINE writeFileMesh(self, fileID) + SUBROUTINE writeMesh(self, fileID) USE moduleMesh USE moduleRefParam IMPLICIT NONE - CLASS(meshParticles), INTENT(in):: self + CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: fileID CHARACTER(LEN=25):: nodeFormat CHARACTER(LEN=25):: cellFormat @@ -123,104 +145,252 @@ MODULE moduleMeshOutputVTK WRITE(fileID, "(10X, A)") '' WRITE(fileID, "(8X, A)") '' - END SUBROUTINE writeFileMesh + END SUBROUTINE writeMesh - SUBROUTINE writeNodeData(self, fileID, output) + SUBROUTINE writeSpeciesOutput(self, fileID, speciesIndex) USE moduleMesh USE moduleOutput IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: fileID + INTEGER, INTENT(in):: speciesIndex TYPE(outputFormat):: output(1:self%numNodes) CHARACTER(LEN=25):: nodeFormat INTEGER:: n - WRITE(fileID,"(A)") '' - WRITE(fileID,"(A)") '' + DO n = 1, self%numNodes + CALL calculateOutput(self%nodes(n)%obj%output(speciesIndex), output(n), self%nodes(n)%obj%v, species(speciesIndex)%obj) + + END DO + + WRITE(fileID,"(8X,A)") '' + WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%density, n = 1, self%numNodes) - WRITE(fileID,"(A)") '' - WRITE(fileID,"(A)") '' + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%velocity(1:3), n = 1, self%numNodes) - WRITE(fileID,"(A)") '' - WRITE(fileID,"(A)") '' + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%pressure, n = 1, self%numNodes) - WRITE(fileID,"(A)") '' - WRITE(fileID,"(A)") '' + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%temperature, n = 1, self%numNodes) - WRITE(fileID,"(A)") '' - WRITE(fileID,"(A)") '' + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(8X,A)") '' - END SUBROUTINE writeNodeData + END SUBROUTINE writeSpeciesOutput + + SUBROUTINE writeCollOutput(self,fileID) + USE moduleMesh + USE moduleCollisions + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(in):: self + INTEGER, INTENT(in):: fileID + INTEGER:: k, c, n + CHARACTER(:), ALLOCATABLE:: title + CHARACTER (LEN=2):: cString + CHARACTER(LEN=25):: cellFormat + + WRITE(fileID,"(8X,A)") '' + DO k = 1, nCollPairs + DO c = 1, interactionMatrix(k)%amount + WRITE(cString, "(I2)") c + title = 'Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString + WRITE(fileID,"(10X,A, A, A)") '' + WRITE(cellFormat, "(A,I10, A)") "(", self%numCells, "(I10))" + WRITE(fileID, cellFormat) (self%cells(n)%obj%tallyColl(k)%tally(c), n = 1, self%numCells) + WRITE(fileID, "(10X, A)") '' + + END DO + END DO + WRITE(fileID,"(8X,A)") '' + + END SUBROUTINE writeCollOutput + + SUBROUTINE writeEM(self, fileID) + USE moduleMesh + USE moduleRefParam + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: fileID + CHARACTER(LEN=25):: nodeFormat + CHARACTER(LEN=25):: cellFormat + INTEGER:: n + REAL(8):: Xi(1:3) + + Xi = (/ 0.D0, 0.D0, 0.D0 /) + + !Points in nodes + WRITE(fileID,"(8X,A)") '' + !Electric potential + WRITE(fileID,"(10X,A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileID,nodeFormat) (self%nodes(n)%obj%emData%phi*Volt_ref, n = 1, self%numNodes) + WRITE(fileID,"(10X,A)") '' + !Magnetic Field + WRITE(fileID,"(10X,A)") '' + WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" + WRITE(fileID,nodeFormat) (self%nodes(n)%obj%emData%B*B_ref, n = 1, self%numNodes) + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(8X,A)") '' + + !Cell Data + WRITE(fileID,"(8X,A)") '' + !Electric field + WRITE(fileID,"(10X,A, A, A)") '' + WRITE(cellFormat, "(A,I10, A)") "(", self%numCells, "(3(ES20.6E3)))" + WRITE(fileID, cellFormat) (self%cells(n)%obj%gatherElectricField(Xi)*EF_ref, n = 1, self%numCells) + WRITE(fileID,"(10X,A)") '' + WRITE(fileID,"(8X,A)") '' + + END SUBROUTINE writeEM + + SUBROUTINE writeCollection(fileID, t, fileNameStep, fileNameCollection) + USE moduleCaseParam + USE moduleOutput + USE moduleRefParam + IMPLICIT NONE + + INTEGER:: fileID + INTEGER, INTENT(in):: t + CHARACTER(*):: fileNameStep, fileNameCollection + + IF (t == tInitial) THEN + !Create collection file + WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameCollection + OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection) + WRITE (fileID + 1, "(A)") '' + WRITE (fileID + 1, "(2X, A)") '' + CLOSE(fileID + 1) + + END IF + + !Write iteration file in collection + OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection, ACCESS='APPEND') + WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)") '' + + !Close collection file + IF (t == tFinal) THEN + WRITE (fileID + 1, "(2X, A)") '' + WRITE (fileID + 1, "(A)") '' + + END IF + CLOSE(fileID + 1) + + END SUBROUTINE writeCollection SUBROUTINE printOutputVTK(self,t) USE moduleMesh - USE moduleRefParam USE moduleSpecies - USE moduleOutput - USE moduleCaseParam IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t INTEGER:: n, i, fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection - CHARACTER (LEN=iterationDigits):: tstring TYPE(outputFormat):: output(1:self%numNodes) fileID = 60 DO i = 1, nSpecies - WRITE(tstring, iterationFormat) t - fileName= 'OUTPUT_' // tstring// '_' // species(i)%obj%name // '.vtu' - + fileName = formatFileName(prefix, species(i)%obj%name, 'vtu', t) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (fileID, file = path // folder // '/' // fileName) - fileNameCollection = 'OUTPUT_Collection_' // species(i)%obj%name // '.pvd' - IF (t == tInitial) THEN - !Create collection file - WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameCollection - OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection) - WRITE (fileID + 1, "(A)") '' - WRITE (fileID + 1, "(2X, A)") '' - CLOSE(fileID + 1) + CALL writeHeader(self%numNodes, self%numCells, fileID) - END IF + CALL writeMesh(self, fileID) - !Write iteration file in collection - OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection, ACCESS='APPEND') - WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)"), '' + CALL writeSpeciesOutput(self, fileID, i) - !Close collection file - IF (t == tFinal) THEN - WRITE (fileID + 1, "(2X, A)") '' - WRITE (fileID + 1, "(A)") '' - - END IF - CLOSE(fileID + 1) - - CALL writeFileHeader(self, fileID) - - CALL writeFileMesh(self, fileID) - - DO n = 1, self%numNodes - CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) - - END DO - - CALL writeNodeData(self, fileID, output) - - CALL writeFileFooter(fileID) + CALL writeFooter(fileID) CLOSE(fileID) + !Write collection file for time plotting + fileNameCollection = formatFileName(prefix, 'Collection_' // species(i)%obj%name, 'pvd') + CALL writeCollection(fileID, t, fileName, filenameCollection) + END DO END SUBROUTINE printOutputVTK + SUBROUTINE printCollVTK(self,t) + USE moduleMesh + USE moduleOutput + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: n, i, fileID + CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection + CHARACTER (LEN=iterationDigits):: tstring + TYPE(outputFormat):: output(1:self%numNodes) + + fileID = 62 + + IF (collOutput) THEN + fileName = formatFileName(prefix, 'Collisions', 'vtu', t) + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (fileID, file = path // folder // '/' // fileName) + + CALL writeHeader(self%numNodes, self%numCells, fileID) + + CALL writeMesh(self, fileID) + + CALL writeCollOutput(self, fileID) + + CALL writeFooter(fileID) + + CLOSE(fileID) + + !Write collection file for time plotting + fileNameCollection = formatFileName(prefix, 'Collection_Collisions', 'pvd') + CALL writeCollection(fileID, t, fileName, filenameCollection) + + END IF + + END SUBROUTINE printCollVTK + + SUBROUTINE printEMVTK(self, t) + USE moduleMesh + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: t + INTEGER:: fileID + CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection + + fileID = 64 + + IF (emOutput) THEN + fileName = formatFileName(prefix, 'EMField', 'vtu', t) + WRITE(*, "(6X,A15,A)") "Creating file: ", fileName + OPEN (fileID, file = path // folder // '/' // fileName) + + CALL writeHeader(self%numNodes, self%numCells, fileID) + + CALL writeMesh(self, fileID) + + CALL writeEM(self, fileID) + + CALL writeFooter(fileID) + + CLOSE(fileID) + + !Write collection file for time plotting + fileNameCollection = formatFileName(prefix, 'Collection_EMField', 'pvd') + CALL writeCollection(fileID, t, fileName, filenameCollection) + + END IF + + END SUBROUTINE printEMVTK + END MODULE moduleMeshOutputVTK diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 813aeb3..def5ca4 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -528,9 +528,11 @@ MODULE moduleSolver CALL outputProbes(t) CALL mesh%printOutput(t) - CALL printOutputVTK(mesh, t) + CALL printOutputVTK(mesh, t) !TEMPORARY TO TEST VTK OUTPUT IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) + IF (ASSOCIATED(meshForMCC)) CALL printCollVTK(meshForMCC,t) !TEMPORARY TO TEST VTK OUTPUT CALL mesh%printEM(t) + CALL printEMVTK(mesh, t) !TEMPORARY TO TEST VTK OUTPUT WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld IF (t == 0) THEN From 6706c5dd1ca26f9dd69648e4d7fe8a5ca903a6c2 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 4 Feb 2023 15:20:36 +0100 Subject: [PATCH 090/203] Average is written in .vtu The average of the species properties can be written now in .vtu format. No .pvd file is provided as no time series is generated. Still to do: Read a .vtu mesh. Improve gmsh format to use more common functions. --- .../mesh/inout/vtk/moduleMeshOutputVTK.f90 | 111 +++++++++++++++++- src/modules/solver/moduleSolver.f90 | 1 + 2 files changed, 111 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 index 203de0c..d962ae9 100644 --- a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 +++ b/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 @@ -164,23 +164,29 @@ MODULE moduleMeshOutputVTK END DO + !Write node data WRITE(fileID,"(8X,A)") '' + !Write density WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%density, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' + !Write velocity WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" - WRITE(fileID,nodeFormat) (output(n)%velocity(1:3), n = 1, self%numNodes) + WRITE(fileID,nodeFormat) (output(n)%velocity, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' + !Write pressure WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%pressure, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' + !Write temperature WRITE(fileID,"(10X,A)") '' WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" WRITE(fileID,nodeFormat) (output(n)%temperature, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' + !End node data WRITE(fileID,"(8X,A)") '' END SUBROUTINE writeSpeciesOutput @@ -286,6 +292,69 @@ MODULE moduleMeshOutputVTK END SUBROUTINE writeCollection + SUBROUTINE writeAverage(self, fileIDMean, fileIDDeviation, speciesIndex) + USE moduleMesh + USE moduleOutput + USE moduleAverage + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER, INTENT(in):: fileIDMean, fileIDDeviation + INTEGER, INTENT(in):: speciesIndex + TYPE(outputFormat):: outputMean(1:self%numNodes) + TYPE(outputFormat):: outputDeviation(1:self%numNodes) + CHARACTER(LEN=25):: nodeFormat + INTEGER:: n + + DO n = 1, self%numNodes + CALL calculateOutput(averageScheme(n)%mean%output(speciesIndex), outputMean(n), & + self%nodes(n)%obj%v, species(speciesIndex)%obj) + CALL calculateOutput(averageScheme(n)%deviation%output(speciesIndex), outputDeviation(n), & + self%nodes(n)%obj%v, species(speciesIndex)%obj) + + END DO + + !Write node data + WRITE(fileIDMean, "(8X,A)") '' + WRITE(fileIDDeviation,"(8X,A)") '' + !Write density + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileIDMean, nodeFormat) (outputMean(n)%density, n = 1, self%numNodes) + WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%density, n = 1, self%numNodes) + WRITE(fileIDMean,"(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + !Write velocity + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" + WRITE(fileIDMean, nodeFormat) (outputMean(n)%velocity, n = 1, self%numNodes) + WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%velocity, n = 1, self%numNodes) + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + !Write pressure + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileIDMean, nodeFormat) (outputMean(n)%pressure, n = 1, self%numNodes) + WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%pressure, n = 1, self%numNodes) + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + !Write temperature + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" + WRITE(fileIDMean, nodeFormat) (outputMean(n)%temperature, n = 1, self%numNodes) + WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%temperature, n = 1, self%numNodes) + WRITE(fileIDMean, "(10X,A)") '' + WRITE(fileIDDeviation,"(10X,A)") '' + !End node data + WRITE(fileIDMean, "(8X,A)") '' + WRITE(fileIDDeviation,"(8X,A)") '' + + END SUBROUTINE writeAverage + SUBROUTINE printOutputVTK(self,t) USE moduleMesh USE moduleSpecies @@ -393,4 +462,44 @@ MODULE moduleMeshOutputVTK END SUBROUTINE printEMVTK + SUBROUTINE printAverageVTK(self) + USE moduleMesh + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshParticles), INTENT(in):: self + INTEGER:: n, i, fileIDMean, fileIDDeviation + CHARACTER(:), ALLOCATABLE:: fileNameMean, fileNameDeviation + TYPE(outputFormat):: output(1:self%numNodes) + + fileIDMean = 66 + fileIDDeviation = 67 + + DO i = 1, nSpecies + fileNameMean = formatFileName('Average_mean', species(i)%obj%name, 'vtu') + WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameMean + OPEN (fileIDMean, file = path // folder // '/' // fileNameMean) + + fileNameDeviation = formatFileName('Average_deviation', species(i)%obj%name, 'vtu') + WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameDeviation + OPEN (fileIDDeviation, file = path // folder // '/' // fileNameDeviation) + + CALL writeHeader(self%numNodes, self%numCells, fileIDMean) + CALL writeHeader(self%numNodes, self%numCells, fileIDDeviation) + + CALL writeMesh(self, fileIDMean) + CALL writeMesh(self, fileIDDeviation) + + CALL writeAverage(self, fileIDMean, fileIDDeviation, i) + + CALL writeFooter(fileIDMean) + CALL writeFooter(fileIDDeviation) + + CLOSE(fileIDMean) + CLOSE(fileIDDeviation) + + END DO + + END SUBROUTINE printAverageVTK + END MODULE moduleMeshOutputVTK diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index def5ca4..68c1270 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -565,6 +565,7 @@ MODULE moduleSolver !Output average values IF (useAverage .AND. t == tFinal) THEN CALL mesh%printAverage() + CALL printAverageVTK(mesh) !TEMPORARY TO TEST VTK OUTPUT END IF From f5be04587a82a49b5a5705f8deacf7f53d6fe9d9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sat, 4 Feb 2023 15:41:13 +0100 Subject: [PATCH 091/203] First step towards reading .vtu mesh Just setting up the required functions. --- src/makefile | 2 +- .../mesh/inout/0D/moduleMeshOutput0D.f90 | 4 +- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 4 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 2 +- src/modules/mesh/inout/makefile | 6 +-- .../mesh/inout/vtk/moduleMeshInputVTK.f90 | 3 -- src/modules/mesh/inout/{vtk => vtu}/makefile | 4 +- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 50 +++++++++++++++++++ .../moduleMeshOutputVTU.f90} | 22 ++++---- src/modules/mesh/moduleMesh.f90 | 2 +- src/modules/solver/moduleSolver.f90 | 10 ++-- 11 files changed, 78 insertions(+), 31 deletions(-) delete mode 100644 src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 rename src/modules/mesh/inout/{vtk => vtu}/makefile (50%) create mode 100644 src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 rename src/modules/mesh/inout/{vtk/moduleMeshOutputVTK.f90 => vtu/moduleMeshOutputVTU.f90} (97%) diff --git a/src/makefile b/src/makefile index 32c6569..3223e41 100644 --- a/src/makefile +++ b/src/makefile @@ -5,7 +5,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o \ - $(OBJDIR)/moduleMeshInputVTK.o $(OBJDIR)/moduleMeshOutputVTK.o \ + $(OBJDIR)/moduleMeshInputVTU.o $(OBJDIR)/moduleMeshOutputVTU.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ $(OBJDIR)/moduleMesh3DCart.o \ diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index dfe9605..97ec729 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -42,13 +42,13 @@ MODULE moduleMeshOutput0D USE moduleOutput IMPLICIT NONE - CLASS(meshGeneric), INTENT(inout):: self + CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t CHARACTER(:), ALLOCATABLE:: fileName INTEGER:: k fileName='OUTPUT_Collisions.dat' - IF (t == 0) THEN + IF (t == tInitial) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') WRITE(20, "(A1, 14X, A5, A20)") "#","t (s)","collisions" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index ae1fe05..6766c49 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -2,7 +2,7 @@ MODULE moduleMeshInputGmsh2 !Reads a mesh in the Gmsh v2.0 format CONTAINS - !Inits a mesh to use Gmsh2 format + !Init a mesh to use Gmsh2 format SUBROUTINE initGmsh2(self) USE moduleMesh USE moduleMeshOutputGmsh2 @@ -23,7 +23,7 @@ MODULE moduleMeshInputGmsh2 END SUBROUTINE initGmsh2 - !Reads a Gmsh 2 format + !Read a Gmsh 2 format SUBROUTINE readGmsh2(self, filename) USE moduleMesh3DCart USE moduleMesh2DCyl diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 53485f4..52e3922 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -144,7 +144,7 @@ MODULE moduleMeshOutputGmsh2 USE moduleOutput IMPLICIT NONE - CLASS(meshGeneric), INTENT(inout):: self + CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t INTEGER:: numEdges INTEGER:: k, c diff --git a/src/modules/mesh/inout/makefile b/src/modules/mesh/inout/makefile index 81e15bc..e686b87 100644 --- a/src/modules/mesh/inout/makefile +++ b/src/modules/mesh/inout/makefile @@ -1,7 +1,7 @@ -all: vtk.o gmsh2.o 0D.o +all: vtu.o gmsh2.o 0D.o -vtk.o: - $(MAKE) -C vtk all +vtu.o: + $(MAKE) -C vtu all gmsh2.o: $(MAKE) -C gmsh2 all diff --git a/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 b/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 deleted file mode 100644 index a044b4f..0000000 --- a/src/modules/mesh/inout/vtk/moduleMeshInputVTK.f90 +++ /dev/null @@ -1,3 +0,0 @@ -MODULE moduleMeshInputVTK - -END MODULE moduleMeshInputVTK diff --git a/src/modules/mesh/inout/vtk/makefile b/src/modules/mesh/inout/vtu/makefile similarity index 50% rename from src/modules/mesh/inout/vtk/makefile rename to src/modules/mesh/inout/vtu/makefile index 18a13a0..07b471d 100644 --- a/src/modules/mesh/inout/vtk/makefile +++ b/src/modules/mesh/inout/vtu/makefile @@ -1,6 +1,6 @@ -all: moduleMeshInputVTK.o moduleMeshOutputVTK.o +all: moduleMeshInputVTU.o moduleMeshOutputVTU.o -moduleMeshInputVTK.o: moduleMeshOutputVTK.o moduleMeshInputVTK.f90 +moduleMeshInputVTU.o: moduleMeshOutputVTU.o moduleMeshInputVTU.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ %.o: %.f90 diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 new file mode 100644 index 0000000..da6c792 --- /dev/null +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -0,0 +1,50 @@ +MODULE moduleMeshInputVTK + !Reads mesh in the VTU format + + CONTAINS + SUBROUTINE initVTK(self) + USE moduleMesh + USE moduleMeshOutputVTU + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(inout), TARGET:: self + + IF (ASSOCIATED(meshForMCC, self)) self%printColl => printCollVTU + SELECT TYPE(self) + TYPE IS(meshParticles) + self%printOutput => printOutputVTU + self%printEM => printEMVTU + self%readInitial => readInitialVTU + self%printAverage => printAverageVTU + + END SELECT + self%readMesh => readVTU + + END SUBROUTINE initVTK + + SUBROUTINE readVTU(self, filename) + USE moduleMesh3DCart + USE moduleMesh2DCyl + USE moduleMesh2DCart + USE moduleMesh1DRad + USE moduleMesh1DCart + USE moduleBoundary + IMPLICIT NONE + + CLASS(meshGeneric), INTENT(inout):: self + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8):: r(1:3) !3 generic coordinates + + END SUBROUTINE readVTU + + SUBROUTINE readInitialVTU(filename, density, velocity, temperature) + IMPLICIT NONE + + CHARACTER(:), ALLOCATABLE, INTENT(in):: filename + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity + REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + + END SUBROUTINE readInitialVTU + +END MODULE moduleMeshInputVTK diff --git a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 similarity index 97% rename from src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 rename to src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 index d962ae9..bf4b1b4 100644 --- a/src/modules/mesh/inout/vtk/moduleMeshOutputVTK.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 @@ -1,4 +1,4 @@ -MODULE moduleMeshOutputVTK +MODULE moduleMeshOutputVTU CHARACTER(LEN=6):: prefix = 'OUTPUT' @@ -90,7 +90,7 @@ MODULE moduleMeshOutputVTK indexType = 1 CLASS DEFAULT - CALL criticalError('Cell not valid for VTK output', 'getCellType') + CALL criticalError('Cell not valid for VTU output', 'getCellType') END SELECT @@ -355,7 +355,7 @@ MODULE moduleMeshOutputVTK END SUBROUTINE writeAverage - SUBROUTINE printOutputVTK(self,t) + SUBROUTINE printOutputVTU(self,t) USE moduleMesh USE moduleSpecies IMPLICIT NONE @@ -389,9 +389,9 @@ MODULE moduleMeshOutputVTK END DO - END SUBROUTINE printOutputVTK + END SUBROUTINE printOutputVTU - SUBROUTINE printCollVTK(self,t) + SUBROUTINE printCollVTU(self,t) USE moduleMesh USE moduleOutput IMPLICIT NONE @@ -426,9 +426,9 @@ MODULE moduleMeshOutputVTK END IF - END SUBROUTINE printCollVTK + END SUBROUTINE printCollVTU - SUBROUTINE printEMVTK(self, t) + SUBROUTINE printEMVTU(self, t) USE moduleMesh IMPLICIT NONE @@ -460,9 +460,9 @@ MODULE moduleMeshOutputVTK END IF - END SUBROUTINE printEMVTK + END SUBROUTINE printEMVTU - SUBROUTINE printAverageVTK(self) + SUBROUTINE printAverageVTU(self) USE moduleMesh USE moduleSpecies IMPLICIT NONE @@ -500,6 +500,6 @@ MODULE moduleMeshOutputVTK END DO - END SUBROUTINE printAverageVTK + END SUBROUTINE printAverageVTU -END MODULE moduleMeshOutputVTK +END MODULE moduleMeshOutputVTU diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 7482842..cb252e8 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -374,7 +374,7 @@ MODULE moduleMesh !Prints number of collisions in each cell SUBROUTINE printColl_interface(self, t) IMPORT meshGeneric - CLASS(meshGeneric), INTENT(inout):: self + CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t END SUBROUTINE printColl_interface diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 68c1270..b1a91fd 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -514,7 +514,7 @@ MODULE moduleSolver USE moduleSpecies USE moduleCompTime USE moduleProbe - USE moduleMeshOutputVTK !TEMPORARY TO TEST VTK OUTPUT + USE moduleMeshOutputVTU !TEMPORARY TO TEST VTU OUTPUT IMPLICIT NONE INTEGER, INTENT(in):: t @@ -528,11 +528,11 @@ MODULE moduleSolver CALL outputProbes(t) CALL mesh%printOutput(t) - CALL printOutputVTK(mesh, t) !TEMPORARY TO TEST VTK OUTPUT + CALL printOutputVTU(mesh, t) !TEMPORARY TO TEST VTU OUTPUT IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) - IF (ASSOCIATED(meshForMCC)) CALL printCollVTK(meshForMCC,t) !TEMPORARY TO TEST VTK OUTPUT + IF (ASSOCIATED(meshForMCC)) CALL printCollVTU(meshForMCC,t) !TEMPORARY TO TEST VTU OUTPUT CALL mesh%printEM(t) - CALL printEMVTK(mesh, t) !TEMPORARY TO TEST VTK OUTPUT + CALL printEMVTU(mesh, t) !TEMPORARY TO TEST VTU OUTPUT WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld IF (t == 0) THEN @@ -565,7 +565,7 @@ MODULE moduleSolver !Output average values IF (useAverage .AND. t == tFinal) THEN CALL mesh%printAverage() - CALL printAverageVTK(mesh) !TEMPORARY TO TEST VTK OUTPUT + CALL printAverageVTU(mesh) !TEMPORARY TO TEST VTU OUTPUT END IF From 63fd8fdb91557bbf95ce729956c1986b5379cc53 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 5 Feb 2023 16:23:37 +0100 Subject: [PATCH 092/203] New functions to read VTU Added a few functions to read .vtu meshes. Output in .vtu changed to output data in 6 columns (seems to be the standard.) --- src/modules/init/moduleInput.f90 | 4 + .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 166 +++++++++++++++++- .../mesh/inout/vtu/moduleMeshOutputVTU.f90 | 78 +++----- 3 files changed, 192 insertions(+), 56 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 0a33903..82d458e 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -860,6 +860,7 @@ MODULE moduleInput SUBROUTINE readGeometry(config) USE moduleMesh USE moduleMeshInputGmsh2, ONLY: initGmsh2 + USE moduleMeshInputVTU, ONLY: initVTU, readVTU !TEMPORARY TO TEST VTU OUTPUT USE moduleMeshInput0D, ONLY: init0D USE moduleErrors USE moduleOutput @@ -873,6 +874,7 @@ MODULE moduleInput LOGICAL:: found CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile REAL(8):: volume + CHARACTER(:), ALLOCATABLE:: meshFileVTU !Temporary to test VTU OUTPUT object = 'geometry' @@ -973,6 +975,8 @@ MODULE moduleInput CALL config%get(object // '.meshFile', meshFile, found) pathMeshParticle = path // meshFile CALL mesh%readMesh(pathMeshParticle) + meshFileVTU = '/home/jorge/fpakc/runs/cylFlow/mesh.vtu' !TEMPORARY TO TEST VTU OUTPUT + CALL readVTU(mesh, meshFileVTU) !TEMPORARY TO TEST VTU OUTPUT DEALLOCATE(meshFile) IF (doubleMesh) THEN !Reads the mesh file for collisions diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index da6c792..505f10d 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -1,8 +1,138 @@ -MODULE moduleMeshInputVTK +MODULE moduleMeshInputVTU !Reads mesh in the VTU format + INTERFACE getValueFromLine + MODULE PROCEDURE getIntegerFromLine, getRealFromLine + + END INTERFACE + CONTAINS - SUBROUTINE initVTK(self) + FUNCTION findLine(fileID, text) RESULT(line) + USE moduleErrors + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + CHARACTER(*):: text + CHARACTER(LEN=256):: line + INTEGER:: error, found + + error = 0 + found = 0 + !Reads all the file to find the 'text' string in a line + DO WHILE(error == 0 .AND. found == 0) + READ(fileID, "(A)", IOSTAT=error) line + found = INDEX(line, text) + IF (found > 0) THEN + EXIT + + END IF + END DO + + !If no line is found, return an error + IF (found == 0) THEN + CALL criticalError('String ' // text // ' not found in file.', 'findLine') + + END IF + + END FUNCTION findLine + + SUBROUTINE getIntegerFromLine(line, label, valueInteger) + USE moduleErrors + IMPLICIT NONE + + CHARACTER(LEN=256), INTENT(in):: line + CHARACTER(*), INTENT(in):: label + INTEGER, INTENT(out):: valueInteger + INTEGER:: labelStart, valueStart, valueEnd + + labelStart = 0 + labelStart = INDEX(line, label) + IF (labelStart == 0) THEN + CALL criticalError('Label '// label // ' not found in line', 'getValueFromLine') + + END IF + valueStart = INDEX(line(labelStart:256), '"') + labelStart + valueEnd = INDEX(line(valueStart:256), '"') + valueStart - 2 + READ(line(valueStart:valueEnd), '(I10)') valueInteger + + END SUBROUTINE getIntegerFromLine + + SUBROUTINE getRealFromLine(line, label, valueReal) + USE moduleErrors + IMPLICIT NONE + + CHARACTER(LEN=256), INTENT(in):: line + CHARACTER(*), INTENT(in):: label + REAL(8), INTENT(out):: valueReal + INTEGER:: labelStart, valueStart, valueEnd + + labelStart = 0 + labelStart = INDEX(line, label) + IF (labelStart == 0) THEN + CALL criticalError('Label '// label // ' not found in line', 'getValueFromLine') + + END IF + valueStart = INDEX(line(labelStart:256), '"') + labelStart + valueEnd = INDEX(line(valueStart:256), '"') + valueStart - 2 + READ(line(valueStart:valueEnd), '(F16.14)') valueReal + + END SUBROUTINE getRealFromLine + + SUBROUTINE readIntegerBlock(fileID, nData, array) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + INTEGER, INTENT(in):: nData + INTEGER, INTENT(out):: array(1:nData) + INTEGER:: iStart, iEnd, block + + iStart = 0 + iEnd = 0 + block = 6 !Assumes block of data in 6 columns + + DO WHILE (iStart < nData) + iStart = iStart + 1 + iEnd = iStart - 1 + block + PRINT *, iStart, iEnd + IF (iEnd > nData) THEN + iEnd = nData + + END IF + READ(fileID, *) array(iStart:iEnd) + iStart = iEnd + + END DO + + END SUBROUTINE readIntegerBlock + + SUBROUTINE readRealBlock(fileID, nData, array) + IMPLICIT NONE + + INTEGER, INTENT(in):: fileID + INTEGER, INTENT(in):: nData + REAL(8), INTENT(out):: array(1:nData) + INTEGER:: iStart, iEnd, block + + iStart = 0 + iEnd = 0 + block = 6 !Assumes block of data in 6 columns + + DO WHILE (iStart < nData) + iStart = iStart + 1 + iEnd = iStart - 1 + block + PRINT *, iStart, iEnd + IF (iEnd > nData) THEN + iEnd = nData + + END IF + READ(fileID, *) array(iStart:iEnd) + iStart = iEnd + + END DO + + END SUBROUTINE readRealBlock + + SUBROUTINE initVTU(self) USE moduleMesh USE moduleMeshOutputVTU IMPLICIT NONE @@ -20,7 +150,7 @@ MODULE moduleMeshInputVTK END SELECT self%readMesh => readVTU - END SUBROUTINE initVTK + END SUBROUTINE initVTU SUBROUTINE readVTU(self, filename) USE moduleMesh3DCart @@ -34,6 +164,34 @@ MODULE moduleMeshInputVTK CLASS(meshGeneric), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8):: r(1:3) !3 generic coordinates + INTEGER:: fileID, error, found + CHARACTER(LEN=256):: line + INTEGER:: numNodes, numElements + INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets + + fileID = 10 + + OPEN(fileID, FILE=TRIM(filename)) + + !Find the number of nodes and elements (edges+cells) in the mesh. + line = findLine(fileID, '' WRITE(fileID, "(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" - WRITE(fileID, nodeFormat) (self%nodes(e)%obj%getCoordinates()*L_ref, e = 1, self%numNodes) + WRITE(fileID, "(6(ES20.6E3))") (self%nodes(e)%obj%getCoordinates()*L_ref, e = 1, self%numNodes) WRITE(fileID, "(10X, A)") '' WRITE(fileID, "(8X, A)") '' WRITE(fileID, "(8X, A)") '' !Write nodes connectivity of each cell WRITE(fileID, "(10X,A)") '' - DO e = 1, self%numCells - WRITE(cellFormat, "(A,I1,A)") "(",self%cells(e)%obj%nNodes,"(I10))" - WRITE(fileID, cellFormat, advance="no") self%cells(e)%obj%getNodes(self%cells(e)%obj%nNodes) - 1 !Array starts on 0 - - END DO + WRITE(fileID, "(6(I10))") (self%cells(e)%obj%getNodes(self%cells(e)%obj%nNodes) - 1, e = 1, self%numCells) !Array starts on 0 WRITE(fileID, "(10X, A)") '' !Write offset of each cell - offset = 0 + offset(1) = self%cells(1)%obj%nNodes WRITE(fileID, "(10X,A)") '' - DO e = 1, self%numCells - WRITE(cellFormat, "(A,I1,A)") "(I10)" - offset = offset + self%cells(e)%obj%nNodes - WRITE(fileID, cellFormat, advance="no") offset + DO e = 2, self%numCells + offset(e) = offset(e - 1) + self%cells(e)%obj%nNodes END DO + WRITE(fileID, "(6(I10))") offset WRITE(fileID, "(10X, A)") '' !Write type of each cell WRITE(fileID, "(10X,A)") '' DO e = 1, self%numCells - WRITE(cellFormat, "(A,I1,A)") "(I10)" - WRITE(fileID, cellFormat, advance="no") getCellType(self%cells(e)%obj) + types(e) = getCellType(self%cells(e)%obj) END DO + WRITE(fileID, "(6(I10))") types WRITE(fileID, "(10X, A)") '' WRITE(fileID, "(8X, A)") '' @@ -156,7 +148,6 @@ MODULE moduleMeshOutputVTU INTEGER, INTENT(in):: fileID INTEGER, INTENT(in):: speciesIndex TYPE(outputFormat):: output(1:self%numNodes) - CHARACTER(LEN=25):: nodeFormat INTEGER:: n DO n = 1, self%numNodes @@ -168,23 +159,19 @@ MODULE moduleMeshOutputVTU WRITE(fileID,"(8X,A)") '' !Write density WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileID,nodeFormat) (output(n)%density, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (output(n)%density, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' !Write velocity WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" - WRITE(fileID,nodeFormat) (output(n)%velocity, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (output(n)%velocity, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' !Write pressure WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileID,nodeFormat) (output(n)%pressure, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (output(n)%pressure, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' !Write temperature WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileID,nodeFormat) (output(n)%temperature, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (output(n)%temperature, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' !End node data WRITE(fileID,"(8X,A)") '' @@ -201,7 +188,6 @@ MODULE moduleMeshOutputVTU INTEGER:: k, c, n CHARACTER(:), ALLOCATABLE:: title CHARACTER (LEN=2):: cString - CHARACTER(LEN=25):: cellFormat WRITE(fileID,"(8X,A)") '' DO k = 1, nCollPairs @@ -209,8 +195,7 @@ MODULE moduleMeshOutputVTU WRITE(cString, "(I2)") c title = 'Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString WRITE(fileID,"(10X,A, A, A)") '' - WRITE(cellFormat, "(A,I10, A)") "(", self%numCells, "(I10))" - WRITE(fileID, cellFormat) (self%cells(n)%obj%tallyColl(k)%tally(c), n = 1, self%numCells) + WRITE(fileID, "(6(I10))") (self%cells(n)%obj%tallyColl(k)%tally(c), n = 1, self%numCells) WRITE(fileID, "(10X, A)") '' END DO @@ -226,33 +211,27 @@ MODULE moduleMeshOutputVTU CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: fileID - CHARACTER(LEN=25):: nodeFormat - CHARACTER(LEN=25):: cellFormat INTEGER:: n REAL(8):: Xi(1:3) - Xi = (/ 0.D0, 0.D0, 0.D0 /) - !Points in nodes WRITE(fileID,"(8X,A)") '' !Electric potential WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileID,nodeFormat) (self%nodes(n)%obj%emData%phi*Volt_ref, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (self%nodes(n)%obj%emData%phi*Volt_ref, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' !Magnetic Field WRITE(fileID,"(10X,A)") '' - WRITE(nodeFormat, "(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" - WRITE(fileID,nodeFormat) (self%nodes(n)%obj%emData%B*B_ref, n = 1, self%numNodes) + WRITE(fileID,"(6(ES20.6E3))") (self%nodes(n)%obj%emData%B*B_ref, n = 1, self%numNodes) WRITE(fileID,"(10X,A)") '' WRITE(fileID,"(8X,A)") '' !Cell Data + Xi = (/ 0.D0, 0.D0, 0.D0 /) WRITE(fileID,"(8X,A)") '' !Electric field WRITE(fileID,"(10X,A, A, A)") '' - WRITE(cellFormat, "(A,I10, A)") "(", self%numCells, "(3(ES20.6E3)))" - WRITE(fileID, cellFormat) (self%cells(n)%obj%gatherElectricField(Xi)*EF_ref, n = 1, self%numCells) + WRITE(fileID, "(6(ES20.6E3))") (self%cells(n)%obj%gatherElectricField(Xi)*EF_ref, n = 1, self%numCells) WRITE(fileID,"(10X,A)") '' WRITE(fileID,"(8X,A)") '' @@ -303,7 +282,6 @@ MODULE moduleMeshOutputVTU INTEGER, INTENT(in):: speciesIndex TYPE(outputFormat):: outputMean(1:self%numNodes) TYPE(outputFormat):: outputDeviation(1:self%numNodes) - CHARACTER(LEN=25):: nodeFormat INTEGER:: n DO n = 1, self%numNodes @@ -320,33 +298,29 @@ MODULE moduleMeshOutputVTU !Write density WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' - WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileIDMean, nodeFormat) (outputMean(n)%density, n = 1, self%numNodes) - WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%density, n = 1, self%numNodes) + WRITE(fileIDMean, "(6(ES20.6E3))") (outputMean(n)%density, n = 1, self%numNodes) + WRITE(fileIDDeviation,"(6(ES20.6E3))") (outputDeviation(n)%density, n = 1, self%numNodes) WRITE(fileIDMean,"(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' !Write velocity WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' - WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(3(ES20.6E3)))" - WRITE(fileIDMean, nodeFormat) (outputMean(n)%velocity, n = 1, self%numNodes) - WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%velocity, n = 1, self%numNodes) + WRITE(fileIDMean, "(6(ES20.6E3))") (outputMean(n)%velocity, n = 1, self%numNodes) + WRITE(fileIDDeviation,"(6(ES20.6E3))") (outputDeviation(n)%velocity, n = 1, self%numNodes) WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' !Write pressure WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' - WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileIDMean, nodeFormat) (outputMean(n)%pressure, n = 1, self%numNodes) - WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%pressure, n = 1, self%numNodes) + WRITE(fileIDMean, "(6(ES20.6E3))") (outputMean(n)%pressure, n = 1, self%numNodes) + WRITE(fileIDDeviation,"(6(ES20.6E3))") (outputDeviation(n)%pressure, n = 1, self%numNodes) WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' !Write temperature WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' - WRITE(nodeFormat,"(A,I10, A)") "(", self%numNodes, "(1(ES20.6E3)))" - WRITE(fileIDMean, nodeFormat) (outputMean(n)%temperature, n = 1, self%numNodes) - WRITE(fileIDDeviation,nodeFormat) (outputDeviation(n)%temperature, n = 1, self%numNodes) + WRITE(fileIDMean, "(6(ES20.6E3))") (outputMean(n)%temperature, n = 1, self%numNodes) + WRITE(fileIDDeviation,"(6(ES20.6E3))") (outputDeviation(n)%temperature, n = 1, self%numNodes) WRITE(fileIDMean, "(10X,A)") '' WRITE(fileIDDeviation,"(10X,A)") '' !End node data From 7b470b7f584e98c3f7928c2bd9b9b47806e814c1 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 5 Feb 2023 18:32:38 +0100 Subject: [PATCH 093/203] Subroutines to read .vtu information All subroutines to read .vtu information is ready. Now it is time to create the input and generate a mesh for fpakc. --- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 33 ++++++++++++++++--- 1 file changed, 29 insertions(+), 4 deletions(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 505f10d..b283d67 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -6,6 +6,11 @@ MODULE moduleMeshInputVTU END INTERFACE + INTERFACE readDataBlock + MODULE PROCEDURE readIntegerBlock, readRealBlock + + END INTERFACE + CONTAINS FUNCTION findLine(fileID, text) RESULT(line) USE moduleErrors @@ -93,7 +98,6 @@ MODULE moduleMeshInputVTU DO WHILE (iStart < nData) iStart = iStart + 1 iEnd = iStart - 1 + block - PRINT *, iStart, iEnd IF (iEnd > nData) THEN iEnd = nData @@ -167,7 +171,8 @@ MODULE moduleMeshInputVTU INTEGER:: fileID, error, found CHARACTER(LEN=256):: line INTEGER:: numNodes, numElements - INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets + INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets, connectivity, types + REAL(8), ALLOCATABLE, DIMENSION(:):: coordinates fileID = 10 @@ -182,17 +187,37 @@ MODULE moduleMeshInputVTU !Get the IDs of the cells to identify physical surfaces line = findLine(fileID, 'Name="CellEntityIds"') ALLOCATE(entitiesID(1:numElements)) - CALL readIntegerBlock(fileID, numElements, entitiesID) + CALL readDataBlock(fileID, numElements, entitiesID) REWIND(fileID) !Get the offsets to read connectivity line = findLine(fileID, 'Name="offsets"') ALLOCATE(offsets(1:numElements)) - CALL readIntegerBlock(fileID, numElements, offsets) + CALL readDataBlock(fileID, numElements, offsets) + REWIND(fileID) + + !Get the connectivity of elements to nodes + line = findline(fileID, 'Name="connectivity"') + ALLOCATE(connectivity(1:MAXVAL(offsets))) + CALL readDataBlock(fileID, MAXVAL(offsets), connectivity) + REWIND(fileID) + + !Get the type of elements + line = findline(fileID, 'Name="types"') + ALLOCATE(types(1:numElements)) + CALL readDataBlock(fileID, numElements, types) + REWIND(fileID) + + !Get nodes coordinates + line = findline(fileID, 'Name="Points"') + ALLOCATE(coordinates(1:3*numNodes)) + CALL readDataBlock(fileID, 3*numNodes, coordinates) REWIND(fileID) CLOSE(fileID) + !All relevant information from the .vtu file has been read. Time to build the mesh. + END SUBROUTINE readVTU SUBROUTINE readInitialVTU(filename, density, velocity, temperature) From 43a74217956507c81535d35d313150c911aa2285 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 5 Feb 2023 19:35:49 +0100 Subject: [PATCH 094/203] Creating of nodes and edges in .vtu format Moving forward making vtu an independent format. Now fpakc can generate nodes and edges from vtu input. Next step is cells. Some minor corrections in gmsh2 format to unify statements. The reading of meshes needs a good overhaul. Testing all geometries with vtu is gonna be fun... --- src/modules/init/moduleInput.f90 | 48 +++++- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 47 ++--- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 163 +++++++++++++++++- src/modules/solver/moduleSolver.f90 | 5 - 4 files changed, 220 insertions(+), 43 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 82d458e..33bd894 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -860,8 +860,13 @@ MODULE moduleInput SUBROUTINE readGeometry(config) USE moduleMesh USE moduleMeshInputGmsh2, ONLY: initGmsh2 - USE moduleMeshInputVTU, ONLY: initVTU, readVTU !TEMPORARY TO TEST VTU OUTPUT + USE moduleMeshInputVTU, ONLY: initVTU USE moduleMeshInput0D, ONLY: init0D + USE moduleMesh3DCart + USE moduleMesh2DCyl + USE moduleMesh2DCart + USE moduleMesh1DRad + USE moduleMesh1DCart USE moduleErrors USE moduleOutput USE moduleRefParam @@ -959,7 +964,34 @@ MODULE moduleInput END SELECT - !Get the type of mesh + !Link the procedure to connect meshes + SELECT CASE(mesh%dimen) + CASE(3) + mesh%connectMesh => connectMesh3DCart + + CASE(2) + SELECT CASE(mesh%geometry) + CASE("Cyl") + mesh%connectMesh => connectMesh2DCyl + + CASE("Cart") + mesh%connectMesh => connectMesh2DCart + + END SELECT + + CASE(1) + SELECT CASE(mesh%geometry) + CASE("Rad") + mesh%connectMesh => connectMesh1DRad + + CASE("Cart") + mesh%connectMesh => connectMesh1DCart + + END SELECT + + END SELECT + + !Get the format of mesh CALL config%get(object // '.meshType', meshFormat, found) SELECT CASE(meshFormat) CASE ("gmsh2") @@ -969,14 +1001,22 @@ MODULE moduleInput END IF + CASE ("vtu") + CALL initVTU(mesh) + IF (doubleMesh) THEN + CALL initVTU(meshColl) + + END IF + + CASE DEFAULT + CALL criticalError('Mesh format ' // meshFormat // ' not defined.', 'readGeometry') + END SELECT !Reads the mesh file CALL config%get(object // '.meshFile', meshFile, found) pathMeshParticle = path // meshFile CALL mesh%readMesh(pathMeshParticle) - meshFileVTU = '/home/jorge/fpakc/runs/cylFlow/mesh.vtu' !TEMPORARY TO TEST VTU OUTPUT - CALL readVTU(mesh, meshFileVTU) !TEMPORARY TO TEST VTU OUTPUT DEALLOCATE(meshFile) IF (doubleMesh) THEN !Reads the mesh file for collisions diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 6766c49..0df1289 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -71,30 +71,26 @@ MODULE moduleMeshInputGmsh2 SELECT CASE(self%dimen) CASE(3) ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) - self%connectMesh => connectMesh3DCart CASE(2) SELECT CASE(self%geometry) CASE("Cyl") ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) - self%connectMesh => connectMesh2DCyl CASE("Cart") ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) - self%connectMesh => connectMesh2DCart END SELECT + r(3) = 0.D0 CASE(1) SELECT CASE(self%geometry) CASE("Rad") ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) - self%connectMesh => connectMesh1DRad CASE("Cart") ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) - self%connectMesh => connectMesh1DCart END SELECT r(2:3) = 0.D0 @@ -111,7 +107,7 @@ MODULE moduleMeshInputGmsh2 !Reads total number of elements (no nodes) READ(10, *) totalNumElem - !conts edges and volume elements + !Count edges and volume elements SELECT TYPE(self) TYPE IS(meshParticles) self%numEdges = 0 @@ -151,7 +147,7 @@ MODULE moduleMeshInputGmsh2 END SELECT - !Allocates arrays + !Allocates array of cells ALLOCATE(self%cells(1:self%numCells)) SELECT TYPE(self) @@ -179,45 +175,30 @@ MODULE moduleMeshInputGmsh2 END SELECT CASE (2) + ALLOCATE(p(1:2)) + READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) + !Associate boundary condition procedure. + bt = getBoundaryId(boundaryType) + SELECT CASE(self%geometry) CASE("Cyl") - ALLOCATE(p(1:2)) - - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) CASE("Cart") - ALLOCATE(p(1:2)) - - READ(10,*) n, elemType, eTemp, boundaryType, eTemp, p(1:2) - !Associate boundary condition procedure. - bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) END SELECT CASE(1) + ALLOCATE(p(1:1)) + READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) + !Associate boundary condition + bt = getBoundaryId(boundaryType) SELECT CASE(self%geometry) CASE("Rad") - ALLOCATE(p(1:1)) - - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) CASE("Cart") - ALLOCATE(p(1:1)) - - READ(10, *) n, elemType, eTemp, boundaryType, eTemp, p(1) - !Associate boundary condition - bt = getBoundaryId(boundaryType) - ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) END SELECT @@ -231,9 +212,9 @@ MODULE moduleMeshInputGmsh2 END SELECT - !Read and initialize volumes + !Read and initialize cells DO e = 1, self%numCells - !Reads the volume according to the geometry + !Read the cell according to the geometry SELECT CASE(self%dimen) CASE(3) READ(10, *) n, elemType diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index b283d67..3a72d12 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -124,7 +124,6 @@ MODULE moduleMeshInputVTU DO WHILE (iStart < nData) iStart = iStart + 1 iEnd = iStart - 1 + block - PRINT *, iStart, iEnd IF (iEnd > nData) THEN iEnd = nData @@ -173,6 +172,9 @@ MODULE moduleMeshInputVTU INTEGER:: numNodes, numElements INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets, connectivity, types REAL(8), ALLOCATABLE, DIMENSION(:):: coordinates + INTEGER:: n, e, c + INTEGER, ALLOCATABLE:: p(:) + INTEGER:: bt fileID = 10 @@ -200,6 +202,8 @@ MODULE moduleMeshInputVTU line = findline(fileID, 'Name="connectivity"') ALLOCATE(connectivity(1:MAXVAL(offsets))) CALL readDataBlock(fileID, MAXVAL(offsets), connectivity) + !Shift connectivity to start in 1 + connectivity = connectivity + 1 REWIND(fileID) !Get the type of elements @@ -217,7 +221,164 @@ MODULE moduleMeshInputVTU CLOSE(fileID) !All relevant information from the .vtu file has been read. Time to build the mesh. + self%numNodes = numNodes + ALLOCATE(self%nodes(1:self%numNodes)) + SELECT TYPE(self) + TYPE IS(meshParticles) + ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + END SELECT + + DO n = 1, self%numNodes + !Get the coordinates for each direction + r(1) = coordinates(3*(n-1)+1) + r(2) = coordinates(3*(n-1)+2) + r(3) = coordinates(3*(n-1)+3) + + SELECT CASE(self%dimen) + CASE(3) + ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) + + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(meshNode2DCyl:: self%nodes(n)%obj) + + CASE("Cart") + ALLOCATE(meshNode2DCart:: self%nodes(n)%obj) + + END SELECT + + r(3) = 0.D0 + + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(meshNode1DRad:: self%nodes(n)%obj) + + CASE("Cart") + ALLOCATE(meshNode1DCart:: self%nodes(n)%obj) + + END SELECT + r(2:3) = 0.D0 + + END SELECT + CALL self%nodes(n)%obj%init(n, r) + + END DO + + !Count the number of edges + SELECT TYPE(self) + TYPE IS(meshParticles) + SELECT CASE(self%dimen) + CASE(3) + !Edges are triangles, type 5 in VTK + self%numEdges = COUNT(types==5) + + CASE(2) + !Edges are segments, type 3 in VTK + self%numEdges = COUNT(types==3) + + CASE(1) + !Edges are nodes, type 1 in VTK + self%numEdges = COUNT(types==1) + + END SELECT + + self%numCells = numElements - self%numEdges + !Allocate array of edges + ALLOCATE(self%edges(1:self%numEdges)) + + TYPE IS(meshCollisions) + self%numCells = numElements + + END SELECT + + !Allocates array of cells + ALLOCATE(self%cells(1:self%numCells)) + + !Read edges + e = 0 + c = 0 + SELECT TYPE(self) + TYPE IS(meshParticles) + DO n = 1, numElements + SELECT CASE(self%dimen) + CASE(3) + IF (types(n) == 5) THEN + e = e + 1 + ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) + ALLOCATE(p(1:3)) + + p(1) = connectivity(offsets(n) - 2) + p(2) = connectivity(offsets(n) - 1) + p(3) = connectivity(offsets(n)) + + !Associate boundary condition procedure. + bt = getBoundaryId(entitiesID(n)) + + !Allocate edge + CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) + DEALLOCATE(p) + + END IF + + CASE(2) + IF (types(n) == 3) THEN + e = e+1 + ALLOCATE(p(1:2)) + p(1) = connectivity(offsets(n) - 1) + p(2) = connectivity(offsets(n)) + + !Associate boundary condition procedure. + bt = getBoundaryId(entitiesID(n)) + + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) + + CASE("Cart") + ALLOCATE(meshEdge2DCart:: self%edges(e)%obj) + + END SELECT + + !Allocate edge + CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) + DEALLOCATE(p) + + END IF + + CASE(1) + IF (types(n) == 3) THEN + e = e + 1 + ALLOCATE(p(1:1)) + p(1) = connectivity(offsets(n)) + + !Associate boundary condition procedure. + bt = getBoundaryId(entitiesID(n)) + SELECT CASE(self%geometry) + CASE("Rad") + ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) + + CASE("Cart") + ALLOCATE(meshEdge1DCart:: self%edges(e)%obj) + + END SELECT + + CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) + DEALLOCATE(p) + + END IF + + END SELECT + + END DO + + END SELECT + END SUBROUTINE readVTU SUBROUTINE readInitialVTU(filename, density, velocity, temperature) diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index b1a91fd..e557495 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -514,7 +514,6 @@ MODULE moduleSolver USE moduleSpecies USE moduleCompTime USE moduleProbe - USE moduleMeshOutputVTU !TEMPORARY TO TEST VTU OUTPUT IMPLICIT NONE INTEGER, INTENT(in):: t @@ -528,11 +527,8 @@ MODULE moduleSolver CALL outputProbes(t) CALL mesh%printOutput(t) - CALL printOutputVTU(mesh, t) !TEMPORARY TO TEST VTU OUTPUT IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) - IF (ASSOCIATED(meshForMCC)) CALL printCollVTU(meshForMCC,t) !TEMPORARY TO TEST VTU OUTPUT CALL mesh%printEM(t) - CALL printEMVTU(mesh, t) !TEMPORARY TO TEST VTU OUTPUT WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld IF (t == 0) THEN @@ -565,7 +561,6 @@ MODULE moduleSolver !Output average values IF (useAverage .AND. t == tFinal) THEN CALL mesh%printAverage() - CALL printAverageVTU(mesh) !TEMPORARY TO TEST VTU OUTPUT END IF From e3eeb97f4863117a8d138c0ca9b2843e5f7cfdda Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 5 Feb 2023 21:33:03 +0100 Subject: [PATCH 095/203] First working version! First complete implementation of .vtu format. Still a lot of things to improve but right now fpakc can read a vtu mesh and write the output in vtu. Still to test: Multiple geometries. Double mesh. --- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 125 +++++++++++++++++- 1 file changed, 124 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 3a72d12..f9588a7 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -302,7 +302,6 @@ MODULE moduleMeshInputVTU !Read edges e = 0 - c = 0 SELECT TYPE(self) TYPE IS(meshParticles) DO n = 1, numElements @@ -378,7 +377,131 @@ MODULE moduleMeshInputVTU END DO END SELECT + + !Read cells + c = 0 + DO n = 1, numElements + SELECT CASE(self%dimen) + CASE(3) + SELECT CASE(types(n)) + CASE(10) + !Thetraedron + c = c + 1 + ALLOCATE(p(1:4)) + p(1) = connectivity(offsets(n) - 3) + p(2) = connectivity(offsets(n) - 2) + p(3) = connectivity(offsets(n) - 1) + p(4) = connectivity(offsets(n)) + ALLOCATE(meshCell3DCartTetra:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT + + CASE(2) + SELECT CASE(self%geometry) + CASE("Cyl") + SELECT CASE(types(n)) + CASE(5) + !Triangular element + c = c + 1 + ALLOCATE(p(1:3)) + p(1) = connectivity(offsets(n) - 2) + p(2) = connectivity(offsets(n) - 1) + p(3) = connectivity(offsets(n)) + ALLOCATE(meshCell2DCylTria:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + CASE(9) + !Quadrilateral element + c = c + 1 + ALLOCATE(p(1:4)) + p(1) = connectivity(offsets(n) - 3) + p(2) = connectivity(offsets(n) - 2) + p(3) = connectivity(offsets(n) - 1) + p(4) = connectivity(offsets(n)) + ALLOCATE(meshCell2DCylQuad:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT + + CASE("Cart") + SELECT CASE(types(n)) + CASE(5) + !Triangular element + c = c + 1 + ALLOCATE(p(1:3)) + p(1) = connectivity(offsets(n) - 2) + p(2) = connectivity(offsets(n) - 1) + p(3) = connectivity(offsets(n)) + ALLOCATE(meshCell2DCartTria:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + CASE(9) + !Quadrilateral element + c = c + 1 + ALLOCATE(p(1:4)) + p(1) = connectivity(offsets(n) - 3) + p(2) = connectivity(offsets(n) - 2) + p(3) = connectivity(offsets(n) - 1) + p(4) = connectivity(offsets(n)) + ALLOCATE(meshCell2DCartQuad:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT + + END SELECT + + CASE(1) + SELECT CASE(self%geometry) + CASE("Rad") + SELECT CASE(types(n)) + CASE(3) + !Segment element + c = c + 1 + ALLOCATE(p(1:2)) + p(1) = connectivity(offsets(n) - 1) + p(2) = connectivity(offsets(n)) + ALLOCATE(meshCell1DRadSegm:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT + + CASE("Cart") + SELECT CASE(types(n)) + CASE(3) + !Segment element + c = c + 1 + ALLOCATE(p(1:2)) + p(1) = connectivity(offsets(n) - 1) + p(2) = connectivity(offsets(n)) + ALLOCATE(meshCell1DCartSegm:: self%cells(c)%obj) + + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT + + END SELECT + + END SELECT + + END DO + !Call mesh connectivity + CALL self%connectMesh + END SUBROUTINE readVTU SUBROUTINE readInitialVTU(filename, density, velocity, temperature) From 402dac9068ffa6642734fbe7386a5da687499f02 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 5 Feb 2023 21:44:09 +0100 Subject: [PATCH 096/203] Update to the manual for .vtu Manual has been updated to account for new vtu option in the mesh format. --- doc/user-manual/fpakc_UserManual.pdf | Bin 181644 -> 181522 bytes doc/user-manual/fpakc_UserManual.tex | 16 ++++++++++------ 2 files changed, 10 insertions(+), 6 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 49536bf078a47bc18c9474931ed1ab9d0ad34bfb..154eb5b6131721f0d957daba28b534627dd05e2b 100644 GIT binary patch delta 27246 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z(j@wRAYk%>Lk3NuOp^cuF)#2y&<0?T0riYv6)0guMQ9O33v06^43F_6uo?vYK#i0y z4%sfiZxv@W`2wp!P!HX%X|Hm$Xb$ZT(t%i-2!Q&y5)Py6g76DGhAEUvVCU!tFh|1)CnKnqq7++J8p|nL^G%4?F+39Rbuhcd_TqCw=rZWH9Z>w^W0q1A zWdY-m1Hq|S>}dGJppvFwGz~GvWE`LXavm*k$QuosD17Kqedoe~4B)6roFo}MeNhNz zL>A3$@G3UshmUOpz7EQgMVcrKYXCD5t4SEZW9|oDg8&!wOMyji3>b|W4|GQ#}rlqB3c*OLuh^VlcvozsF1H*F7zI`1=Icok7 DaJaz+ diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index 8897869..62e8f50 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -38,6 +38,7 @@ \newacronym{io}{I/O}{input/output} \newacronym{mcc}{MCC}{Monte-Carlo Collisions} \newacronym{cs}{CS}{Coulomb Scattering} +\newacronym{vtu}{VTU}{Visualization Toolkit for unstructured grids} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \newglossaryentry{openmp}{name={OpenMP},description={Shared-memory parallelization}} @@ -437,25 +438,26 @@ make \begin{itemize} \item \textbf{Cart}: Cartesian coordinates. Available for \textbf{geometry.dimension} $1$, $2$ and $3$. - For \Gls{gmsh} mesh format, the coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. + The coordinates $x$, $y$ and $z$ correspond to $x$, $y$ and $z$ respectively. \item \textbf{Cyl}: Cylindrical coordinates ($z \hyphen r$) with symmetry axis at $r = 0$. Only available for \textbf{geometry.dimension} $2$. - For \Gls{gmsh} mesh format, the coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. + The coordinates $x$ and $y$ correspond to $z$ and $r$ respectively. \item \textbf{Rad}: One-dimensional radial space ($r$). Only available for \textbf{geometry.dimension} $1$. - For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. + The coordinates $x$ corresponds to $r$. \end{itemize} \item \textbf{meshType}: Character. Format of mesh file. Accepted formats are: \begin{itemize} \item \textbf{gmsh2}: \Gls{gmsh} file format in version 2.0. + \item \textbf{vtu}: \Gls{vtu} file format. \end{itemize} \item \textbf{meshFile}: Character. Mesh filename. This file is searched in the path \textbf{output.path} and must contain the file extension. \item \textbf{volume}: Real. - Units of $\unit{m^-3}$. + Units of $\unit{m^{-3}}$. Used to set a fictitious volume for the $0$ dimension. Ignored in the other cases. \end{itemize} @@ -536,7 +538,7 @@ make Density of neutral background. Required parameter. \item \textbf{velocity}: Real. - Units in $\unit{m^{-3}}$. + Units in $\unit{m s^{-1}}$. Array of dimension $3$. Mean velocity of neutral background. Required parameter. @@ -604,7 +606,8 @@ make \item \textbf{part/s}: Particles (real) per second. \end{itemize} \item \textbf{v}: Real. - Module of velocity vector, in $\unitfrac{m}{s}$. + Units of $\unit{m s^{-1}}$. + Module of velocity vector. \item \textbf{n}: Real. Array dimension $3$. Direction of injection. @@ -618,6 +621,7 @@ make \item \textbf{Delta}: Dirac's delta distribution function. All particles are injected with velocity \textbf{v} times the value of \textbf{n} in the specified direction. \end{itemize} \item \textbf{T}: Real. + Units of $\unit{K}$ Array dimension $3$. Temperature in each direction. \item \textbf{physicalSurface}: Integer. From a22099ee87092b08ab518bcc536ff80b8a86bdb8 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 6 Feb 2023 19:18:04 +0100 Subject: [PATCH 097/203] Improvement to vtu read subroutine Some improvements to reduce code repetition when reading vtu mesh. --- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 191 +++++++++--------- 1 file changed, 94 insertions(+), 97 deletions(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index f9588a7..3001eac 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -169,7 +169,7 @@ MODULE moduleMeshInputVTU REAL(8):: r(1:3) !3 generic coordinates INTEGER:: fileID, error, found CHARACTER(LEN=256):: line - INTEGER:: numNodes, numElements + INTEGER:: numNodes, numElements, numEdges INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets, connectivity, types REAL(8), ALLOCATABLE, DIMENSION(:):: coordinates INTEGER:: n, e, c @@ -223,6 +223,7 @@ MODULE moduleMeshInputVTU !All relevant information from the .vtu file has been read. Time to build the mesh. self%numNodes = numNodes ALLOCATE(self%nodes(1:self%numNodes)) + SELECT TYPE(self) TYPE IS(meshParticles) ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) @@ -238,6 +239,7 @@ MODULE moduleMeshInputVTU r(2) = coordinates(3*(n-1)+2) r(3) = coordinates(3*(n-1)+3) + !Allocate node SELECT CASE(self%dimen) CASE(3) ALLOCATE(meshNode3Dcart::self%nodes(n)%obj) @@ -266,41 +268,44 @@ MODULE moduleMeshInputVTU r(2:3) = 0.D0 END SELECT + + !Init node CALL self%nodes(n)%obj%init(n, r) END DO !Count the number of edges + SELECT CASE(self%dimen) + CASE(3) + !Edges are triangles, type 5 in VTK + numEdges = COUNT(types==5) + + CASE(2) + !Edges are segments, type 3 in VTK + numEdges = COUNT(types==3) + + CASE(1) + !Edges are nodes, type 1 in VTK + numEdges = COUNT(types==1) + + END SELECT + + self%numCells = numElements - numEdges + SELECT TYPE(self) TYPE IS(meshParticles) - SELECT CASE(self%dimen) - CASE(3) - !Edges are triangles, type 5 in VTK - self%numEdges = COUNT(types==5) - - CASE(2) - !Edges are segments, type 3 in VTK - self%numEdges = COUNT(types==3) - CASE(1) - !Edges are nodes, type 1 in VTK - self%numEdges = COUNT(types==1) - - END SELECT + self%numEdges = numEdges - self%numCells = numElements - self%numEdges !Allocate array of edges ALLOCATE(self%edges(1:self%numEdges)) - TYPE IS(meshCollisions) - self%numCells = numElements - END SELECT !Allocates array of cells ALLOCATE(self%cells(1:self%numCells)) - !Read edges + !Read edges only if mesh is for tracking particles, not for collisions e = 0 SELECT TYPE(self) TYPE IS(meshParticles) @@ -309,9 +314,8 @@ MODULE moduleMeshInputVTU CASE(3) IF (types(n) == 5) THEN e = e + 1 - ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) - ALLOCATE(p(1:3)) + ALLOCATE(p(1:3)) p(1) = connectivity(offsets(n) - 2) p(2) = connectivity(offsets(n) - 1) p(3) = connectivity(offsets(n)) @@ -320,6 +324,9 @@ MODULE moduleMeshInputVTU bt = getBoundaryId(entitiesID(n)) !Allocate edge + ALLOCATE(meshEdge3DCartTria:: self%edges(e)%obj) + + !Init edge CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) DEALLOCATE(p) @@ -335,6 +342,7 @@ MODULE moduleMeshInputVTU !Associate boundary condition procedure. bt = getBoundaryId(entitiesID(n)) + !Allocate edge SELECT CASE(self%geometry) CASE("Cyl") ALLOCATE(meshEdge2DCyl:: self%edges(e)%obj) @@ -344,7 +352,7 @@ MODULE moduleMeshInputVTU END SELECT - !Allocate edge + !Init edge CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) DEALLOCATE(p) @@ -358,6 +366,8 @@ MODULE moduleMeshInputVTU !Associate boundary condition procedure. bt = getBoundaryId(entitiesID(n)) + + !Allocate edge SELECT CASE(self%geometry) CASE("Rad") ALLOCATE(meshEdge1DRad:: self%edges(e)%obj) @@ -367,6 +377,7 @@ MODULE moduleMeshInputVTU END SELECT + !Init edge CALL self%edges(e)%obj%init(n, p, bt, entitiesID(n)) DEALLOCATE(p) @@ -387,112 +398,98 @@ MODULE moduleMeshInputVTU CASE(10) !Thetraedron c = c + 1 + ALLOCATE(p(1:4)) p(1) = connectivity(offsets(n) - 3) p(2) = connectivity(offsets(n) - 2) p(3) = connectivity(offsets(n) - 1) p(4) = connectivity(offsets(n)) + + !Allocate cell ALLOCATE(meshCell3DCartTetra:: self%cells(c)%obj) + !Init cell CALL self%cells(c)%obj%init(c, p, self%nodes) DEALLOCATE(p) END SELECT CASE(2) - SELECT CASE(self%geometry) - CASE("Cyl") - SELECT CASE(types(n)) - CASE(5) - !Triangular element - c = c + 1 - ALLOCATE(p(1:3)) - p(1) = connectivity(offsets(n) - 2) - p(2) = connectivity(offsets(n) - 1) - p(3) = connectivity(offsets(n)) + SELECT CASE(types(n)) + CASE(5) + !Triangular element + c = c + 1 + + ALLOCATE(p(1:3)) + p(1) = connectivity(offsets(n) - 2) + p(2) = connectivity(offsets(n) - 1) + p(3) = connectivity(offsets(n)) + + !Allocate cell + SELECT CASE(self%geometry) + CASE("Cyl") ALLOCATE(meshCell2DCylTria:: self%cells(c)%obj) - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) - - CASE(9) - !Quadrilateral element - c = c + 1 - ALLOCATE(p(1:4)) - p(1) = connectivity(offsets(n) - 3) - p(2) = connectivity(offsets(n) - 2) - p(3) = connectivity(offsets(n) - 1) - p(4) = connectivity(offsets(n)) - ALLOCATE(meshCell2DCylQuad:: self%cells(c)%obj) - - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) - - END SELECT - - CASE("Cart") - SELECT CASE(types(n)) - CASE(5) - !Triangular element - c = c + 1 - ALLOCATE(p(1:3)) - p(1) = connectivity(offsets(n) - 2) - p(2) = connectivity(offsets(n) - 1) - p(3) = connectivity(offsets(n)) + CASE("Cart") ALLOCATE(meshCell2DCartTria:: self%cells(c)%obj) - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) + END SELECT - CASE(9) - !Quadrilateral element - c = c + 1 - ALLOCATE(p(1:4)) - p(1) = connectivity(offsets(n) - 3) - p(2) = connectivity(offsets(n) - 2) - p(3) = connectivity(offsets(n) - 1) - p(4) = connectivity(offsets(n)) + !Init cell + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + CASE(9) + !Quadrilateral element + c = c + 1 + + ALLOCATE(p(1:4)) + p(1) = connectivity(offsets(n) - 3) + p(2) = connectivity(offsets(n) - 2) + p(3) = connectivity(offsets(n) - 1) + p(4) = connectivity(offsets(n)) + + !Allocate cell + SELECT CASE(self%geometry) + CASE("Cyl") + ALLOCATE(meshCell2DCylQuad:: self%cells(c)%obj) + + CASE("Cart") ALLOCATE(meshCell2DCartQuad:: self%cells(c)%obj) - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) - END SELECT + !Init cell + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + + END SELECT CASE(1) - SELECT CASE(self%geometry) - CASE("Rad") - SELECT CASE(types(n)) - CASE(3) - !Segment element - c = c + 1 - ALLOCATE(p(1:2)) - p(1) = connectivity(offsets(n) - 1) - p(2) = connectivity(offsets(n)) + SELECT CASE(types(n)) + CASE(3) + !Segment element + c = c + 1 + + ALLOCATE(p(1:2)) + p(1) = connectivity(offsets(n) - 1) + p(2) = connectivity(offsets(n)) + + !Allocate cell + SELECT CASE(self%geometry) + CASE("Rad") ALLOCATE(meshCell1DRadSegm:: self%cells(c)%obj) - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) - - END SELECT - - CASE("Cart") - SELECT CASE(types(n)) - CASE(3) - !Segment element - c = c + 1 - ALLOCATE(p(1:2)) - p(1) = connectivity(offsets(n) - 1) - p(2) = connectivity(offsets(n)) + CASE("Cart") ALLOCATE(meshCell1DCartSegm:: self%cells(c)%obj) - CALL self%cells(c)%obj%init(c, p, self%nodes) - DEALLOCATE(p) - END SELECT + !Init cell + CALL self%cells(c)%obj%init(c, p, self%nodes) + DEALLOCATE(p) + END SELECT END SELECT From 515e5c7744a3b6d2f73113085bf35109bc490451 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 6 Feb 2023 19:54:54 +0100 Subject: [PATCH 098/203] Fix an issue and starting to read information from .vtu initial files For some reason the connectivity for collision meshes was not being properly assigned. Also, the first subroutine to read information from .vtu files as initial states has been added. It is currently giving wrong results. --- src/modules/init/moduleInput.f90 | 5 +++ .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 38 +++++++++++++++++++ 2 files changed, 43 insertions(+) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 33bd894..da43e98 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -991,6 +991,11 @@ MODULE moduleInput END SELECT + IF (doubleMesh) THEN + meshColl%connectMesh => mesh%connectMesh + + END IF + !Get the format of mesh CALL config%get(object // '.meshType', meshFormat, found) SELECT CASE(meshFormat) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 3001eac..c62dec1 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -508,6 +508,44 @@ MODULE moduleMeshInputVTU REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: density REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:,:):: velocity REAL(8), ALLOCATABLE, INTENT(out), DIMENSION(:):: temperature + INTEGER:: fileID + CHARACTER(:), ALLOCATABLE:: line + INTEGER:: numNodes + REAL(8), ALLOCATABLE:: velocityBlock(:) + INTEGER:: n + + fileID = 10 + + OPEN(fileID, file = TRIM(filename)) + + line = findLine(fileID, ' Date: Tue, 7 Feb 2023 15:19:13 +0100 Subject: [PATCH 100/203] Finishing implementation of vtu mesh format I have tested all geometries and cases and all seem to work perfectly with .vtu meshes. Input and output works great, starting from a previous case also works. Everything I was able to test is okay. Still, what I want to do is to change a few things in the output (e.g., change OUTPUT prefix to Step) and try to improve reading gmsh meshes to make them more compact as vtu is now. --- src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index f58564e..763517f 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -334,7 +334,7 @@ MODULE moduleMeshInputVTU CASE(2) IF (types(n) == 3) THEN - e = e+1 + e = e + 1 ALLOCATE(p(1:2)) p(1) = connectivity(offsets(n) - 1) p(2) = connectivity(offsets(n)) @@ -359,7 +359,7 @@ MODULE moduleMeshInputVTU END IF CASE(1) - IF (types(n) == 3) THEN + IF (types(n) == 1) THEN e = e + 1 ALLOCATE(p(1:1)) p(1) = connectivity(offsets(n)) From 2c559135013a6a6c06418f57ea2fc089a2eba9e9 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 7 Feb 2023 16:02:36 +0100 Subject: [PATCH 101/203] First version of vtu file format After some testing and making things a bit better and more general, I am quite happy with the implementation of vtu and it seems that it is working (at least as good as Gmsh2). There are some procedures that might be useful for other XML-like formats that might be moved in the future to the common module (I am thinking right now in the implementation of a general format like XDMF3). --- doc/user-manual/fpakc_UserManual.pdf | Bin 181522 -> 181687 bytes doc/user-manual/fpakc_UserManual.tex | 5 +-- src/makefile | 1 + .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 20 +++++------ src/modules/mesh/inout/makefile | 5 ++- .../mesh/inout/moduleMeshInoutCommon.f90 | 27 +++++++++++++++ .../mesh/inout/vtu/moduleMeshOutputVTU.f90 | 32 ++++-------------- 7 files changed, 51 insertions(+), 39 deletions(-) create mode 100644 src/modules/mesh/inout/moduleMeshInoutCommon.f90 diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 154eb5b6131721f0d957daba28b534627dd05e2b..da9471c2e3131c41080d8a832dc6ef1febb6fe46 100644 GIT binary patch delta 16188 zcmaiZcRbba`@fl0$jZpbF6-=JW@fKsWlP8^D+OOJj1BKR4A>@{zLakjO^f>S-$pSp(C#Ux9Md>0Ymk-h4?n5$AcELwO4_ 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    !!;UqadsaQVY+!jf?eTkl z_s3=nXE5T$Iiks3AMClect118uQeh&9obk-`EILQ7Dz0N1ZXS?1*{Psbe?45qwR9s zv||m=EBsIQGAPgDn46xaFL2%~0OG^04Tcj6E(tbMyAX$&TCWSk^X;0Pof z0sqg5DxW-W9_ad_~dzdwfK;b?&53P^(^z()Mw=f5I=G=Qk|7{*LMBJrdjA#f;C>F{9xjvze; z$6-k{gW~}ZP||Y%0*QgpP@piNK!iVK0w z4&)Dq;}IDAZ)yG%1_j#kkAuI@A+b=jkZ=s-E)u{)41+`>pyyBo3`9F525K!N9%>R4 z0M!nIL_?UMQ20MJ{;dcG_>Z#@{%{Et1_7}X3j048Qg==JRkA#E-FPEaV9c8VT`P3>Ff3cr2V~4L+-ggdWFY zNo@uOB^(MJ_8`W_3t%_`0*fWl4~$_j_57_f0N}BtmI6(TMUxl>JO`jifCZ399EyYo z{NTBRcoG6J{=dM-p%HjUkm2B9f~+cp;Ry&hNn`;C6q;00IGEEQ(BjZ26a;P@K$`r( zy8wpN1aJV4`i%zBy$HrjK;lWm49o&ps59ZfpeMl)40%#105k?ciYq7u5=|-v9*6p! zR}ON*|KWwlVGz)RSTqSt;Di4oDnPe@+y(PDp~>>y#`F{CK79EBn6kic_T49Ph-4lFi*7?%4VYolgnu;+r~hyu@GA_P+Q2mq4V!GJ9_vMpIA5?0vi_OOzH(#00FTx_P=fCzx5Rd zHaHL;$AZ=VkN1ef6)-7r$fN?+E+jO4f;}R!vH~VR06)e+QV|@BB?TWmhb0|kKpKwJ zO+h2!p&1v1mqdIx5(Q3(yu{v0n1CS`PdZrua2$aAQ@h{x$HJk`2qsqusyMJ6Bc7=O zeF6zJ1DLNM5s&*HX%+`I*MGnZ3IGa)fjBQ%QX$m@Y}Ec~AOG?R9QJ=O#zFHt4i9Av z_DB$+!5#^c3-L(!pP~LwO$Fl`;*5B379rIR?3*CYh{r&!iN`?eEI4IDg~75wJrAr5 zjLqQ8fPs1w9uMiEaaaV7#0>zjnZqNAw$(7a1RRn#zG4~}52ZQ5@=U>8DU^o;p;3Z5%p44DqJtH*)$OZ$cxBvi7+QbVrFd+hDX#s#A zl9nU@EWD(%CfJGooq~SL4~|`=aRY#p9EtmaLSg>_^UoLoz^RACEx{}dNk(8{14|pJ zCBOmmPv8G73h-2p88uV(poi~wL5lg0?BGAV4J)L_&>7~@HU^FTn-#103m9Hb2Z z$5e4B)Ch3yC1rvDX9!|pEts-#IPh`E$B4g_I&dWn8bhi)=!E~n)e+EX5FBW+5LZWl zUmWuuETjJPf3RzX_&Neoiouo@Ixhj>4voZ$2Lh4~U~nwh-2N*J;h*&&fBalg1|;OTZza&>$h>`ays}QYT1*q)sr3NFx@!3#r+l zBIw_3*8%?jrXM5<(x+oVR3Wf}Wf|hPNc11D{zesK0$K8b!hkEKf06lZe~<`vcmEO( zeByvc$^`5X{+{v<4j%m11`+|myO00`g#n?4@F0K-jlYQp4?>&<2WC1V+asvP+%!1g%C_PkdX>R8Zttl!9kDI{^Q#TeSyfeqBZh2cMS0sL|Yk~F|gHL1^l8?L{%vr-^52ynea zsxbnjl0Jw4u*CCaFlGs8f5>K|mL_(^ Date: Thu, 9 Feb 2023 12:15:18 +0100 Subject: [PATCH 102/203] Issue in connectivity between Quad elements For unstructured meshes, the quad elements where not being propertly connected as not all possibilities were tested. This should be fixed now. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 108 +++++++++++++++---- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 108 +++++++++++++++---- 2 files changed, 176 insertions(+), 40 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index c02078a..d50263b 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -1012,38 +1012,106 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCartQuad), INTENT(inout), TARGET:: elemB !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n4%n) THEN + elemA%e1 => elemB + elemB%e4 => elemA + + END IF END IF !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n4%n) THEN - elemA%e2 => elemB - elemB%e4 => elemA + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n4%n) THEN + elemA%e2 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF END IF !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3) .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n4%n) THEN + elemA%e3 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + END IF END IF !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4) .AND. & - elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n4%n) THEN + elemA%e4 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n4%n == elemB%n4%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e4 => elemB + elemB%e3 => elemA + + END IF END IF diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 307f71c..f6f2b26 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -1050,38 +1050,106 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylQuad), INTENT(inout), TARGET:: elemB !Check direction 1 - IF (.NOT. ASSOCIATED(elemA%e1) .AND. & - elemA%n1%n == elemB%n4%n .AND. & - elemA%n2%n == elemB%n3%n) THEN - elemA%e1 => elemB - elemB%e3 => elemA + IF (.NOT. ASSOCIATED(elemA%e1)) THEN + IF (elemA%n1%n == elemB%n4%n .AND. & + elemA%n2%n == elemB%n3%n) THEN + elemA%e1 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n1%n == elemB%n3%n .AND. & + elemA%n2%n == elemB%n2%n) THEN + elemA%e1 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n1%n == elemB%n2%n .AND. & + elemA%n2%n == elemB%n1%n) THEN + elemA%e1 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n1%n == elemB%n1%n .AND. & + elemA%n2%n == elemB%n4%n) THEN + elemA%e1 => elemB + elemB%e4 => elemA + + END IF END IF !Check direction 2 - IF (.NOT. ASSOCIATED(elemA%e2) .AND. & - elemA%n2%n == elemB%n1%n .AND. & - elemA%n3%n == elemB%n4%n) THEN - elemA%e2 => elemB - elemB%e4 => elemA + IF (.NOT. ASSOCIATED(elemA%e2)) THEN + IF (elemA%n2%n == elemB%n1%n .AND. & + elemA%n3%n == elemB%n4%n) THEN + elemA%e2 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n2%n == elemB%n4%n .AND. & + elemA%n3%n == elemB%n3%n) THEN + elemA%e2 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n2%n == elemB%n3%n .AND. & + elemA%n3%n == elemB%n2%n) THEN + elemA%e2 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n2%n == elemB%n2%n .AND. & + elemA%n3%n == elemB%n1%n) THEN + elemA%e2 => elemB + elemB%e1 => elemA + + END IF END IF !Check direction 3 - IF (.NOT. ASSOCIATED(elemA%e3) .AND. & - elemA%n3%n == elemB%n2%n .AND. & - elemA%n4%n == elemB%n1%n) THEN - elemA%e3 => elemB - elemB%e1 => elemA + IF (.NOT. ASSOCIATED(elemA%e3)) THEN + IF (elemA%n3%n == elemB%n2%n .AND. & + elemA%n4%n == elemB%n1%n) THEN + elemA%e3 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n3%n == elemB%n1%n .AND. & + elemA%n4%n == elemB%n4%n) THEN + elemA%e3 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n3%n == elemB%n4%n .AND. & + elemA%n4%n == elemB%n3%n) THEN + elemA%e3 => elemB + elemB%e3 => elemA + + ELSEIF (elemA%n3%n == elemB%n3%n .AND. & + elemA%n4%n == elemB%n2%n) THEN + elemA%e3 => elemB + elemB%e2 => elemA + + END IF END IF !Check direction 4 - IF (.NOT. ASSOCIATED(elemA%e4) .AND. & - elemA%n4%n == elemB%n3%n .AND. & - elemA%n1%n == elemB%n2%n) THEN - elemA%e4 => elemB - elemB%e2 => elemA + IF (.NOT. ASSOCIATED(elemA%e4)) THEN + IF (elemA%n4%n == elemB%n3%n .AND. & + elemA%n1%n == elemB%n2%n) THEN + elemA%e4 => elemB + elemB%e2 => elemA + + ELSEIF (elemA%n4%n == elemB%n2%n .AND. & + elemA%n1%n == elemB%n1%n) THEN + elemA%e4 => elemB + elemB%e1 => elemA + + ELSEIF (elemA%n4%n == elemB%n1%n .AND. & + elemA%n1%n == elemB%n4%n) THEN + elemA%e4 => elemB + elemB%e4 => elemA + + ELSEIF (elemA%n4%n == elemB%n4%n .AND. & + elemA%n1%n == elemB%n3%n) THEN + elemA%e4 => elemB + elemB%e3 => elemA + + END IF END IF From de1d4567f374e8fc94349b9d619c505adf8e480f Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 9 Feb 2023 15:32:04 +0100 Subject: [PATCH 103/203] Issue for particles in quad cell Due to a high convergence value (1.0e-2) in phy2logQuad (variable conv), particles were being stuck in some elements, reaching a segmentation fault. The new limit (1.0e-4) should avoid this. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index f6f2b26..f8e41b3 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -524,7 +524,7 @@ MODULE moduleMesh2DCyl conv = 1.D0 XiO = 0.D0 - DO WHILE(conv > 1.D-2) + DO WHILE(conv > 1.D-4) dPsi = self%dPsi(XiO, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index cb252e8..0804059 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -639,8 +639,8 @@ MODULE moduleMesh CLASS(meshCell), INTENT(inout):: self CLASS(particle), INTENT(inout), TARGET:: part CLASS(meshCell), OPTIONAL, INTENT(in):: oldCell - REAL(8):: Xi(1:3) - CLASS(meshElement), POINTER:: neighbourElement + REAL(8):: Xi(1:3) = 0.D0 + CLASS(meshElement), POINTER:: neighbourElement => NULL() INTEGER:: sp Xi = self%phy2log(part%r) From 60477481dd67a4e1fb9f4baecf87fa7003ee2c8b Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 9 Feb 2023 16:48:49 +0100 Subject: [PATCH 104/203] Adds the commit to the output folder I thought it will be a good idea to write the commit into the output folder to better track the code version responsible for the results. --- src/modules/solver/moduleSolver.f90 | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index e557495..da2c9c4 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -518,6 +518,11 @@ MODULE moduleSolver INTEGER, INTENT(in):: t + IF (t == tInitial) THEN + CALL SYSTEM('git rev-parse HEAD > ' // path // folder // '/' // 'fpack_commit.txt') + + END IF + counterOutput = counterOutput + 1 IF (counterOutput >= triggerOutput .OR. & t == tFinal .OR. t == tInitial) THEN From 4e9a5929822bf6a5314fbe386e35b70267e9724f Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 10 Feb 2023 18:53:19 +0100 Subject: [PATCH 105/203] Returning to previous version of moduleMesh.f90 Having initialization in some variables was causing issues in 1D geometry, so I reverted the file to one working. --- src/modules/mesh/moduleMesh.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 0804059..cb252e8 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -639,8 +639,8 @@ MODULE moduleMesh CLASS(meshCell), INTENT(inout):: self CLASS(particle), INTENT(inout), TARGET:: part CLASS(meshCell), OPTIONAL, INTENT(in):: oldCell - REAL(8):: Xi(1:3) = 0.D0 - CLASS(meshElement), POINTER:: neighbourElement => NULL() + REAL(8):: Xi(1:3) + CLASS(meshElement), POINTER:: neighbourElement INTEGER:: sp Xi = self%phy2log(part%r) From 8237aa90e92a2c05b5018c69dc4e96f71ac6209e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 17 Feb 2023 12:48:23 +0100 Subject: [PATCH 106/203] Incorrect file name in Gmsh2 output The file with the EMField was being writteng with the wrong name. Quantities inside were correct. --- src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index 2217daf..ccdcf3d 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -216,7 +216,7 @@ MODULE moduleMeshOutputGmsh2 IF (emOutput) THEN time = DBLE(t)*tauMin*ti_ref - fileName = formatFileName(prefix, 'Collisions', 'msh', t) + fileName = formatFileName(prefix, 'EMField', 'msh', t) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (20, file = path // folder // '/' // fileName) From acc8505485a93d28163e8f511946ff4d0b1c4920 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 17 Feb 2023 13:03:22 +0100 Subject: [PATCH 107/203] Issue with -llapack option Some versions of gfortran (in the foss framework) were having issues with the -llpack flag, so it is disables as OpenBLAS takes the work. --- src/makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/makefile b/src/makefile index 39a39a7..c9c747d 100644 --- a/src/makefile +++ b/src/makefile @@ -23,7 +23,7 @@ all: $(OUTPUT) $(OUTPUT): modules.o $(OUTPUT).f90 $(FC) $(FCFLAGS) -o $(OBJDIR)/$(OUTPUT).o -c $(OUTPUT).f90 - $(FC) $(FCFLAGS) -o $(TOPDIR)/$(OUTPUT) $(OBJECTS) $(OBJDIR)/$(OUTPUT).o $(JSONLIB) -L/usr/local/lib -llapack -lopenblas + $(FC) $(FCFLAGS) -o $(TOPDIR)/$(OUTPUT) $(OBJECTS) $(OBJDIR)/$(OUTPUT).o $(JSONLIB) -L/usr/local/lib -lopenblas modules.o: $(MAKE) -C modules all From 2ee6c1764eb5c22896a8ee456bbd98fb58b3fc23 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 23 Feb 2023 08:18:46 +0100 Subject: [PATCH 108/203] Probes were not working properly Issue in the output of probes and in the detection of particles inside the velocity grid. --- src/modules/moduleProbe.f90 | 8 +++++--- src/modules/solver/moduleSolver.f90 | 3 ++- 2 files changed, 7 insertions(+), 4 deletions(-) diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index 2d2295a..83a567a 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -95,7 +95,7 @@ MODULE moduleProbe !Maximum radius !TODO: Make this an input parameter - self%maxR = 1.D-1/L_ref + self%maxR = 1.D0 !Init the probe lock CALL OMP_INIT_LOCK(self%lock) @@ -110,6 +110,8 @@ MODULE moduleProbe INTEGER, INTENT(out):: i, j, k LOGICAL, INTENT(out):: inside + inside = .TRUE. + i = FLOOR((vp(1) - self%vi(1))/self%vrange(1)*(REAL(self%nv(1) - 1)) + 1.D0) IF (i >= self%nv(1) .OR. i < 1) inside = .FALSE. j = FLOOR((vp(2) - self%vj(1))/self%vrange(2)*(REAL(self%nv(2) - 1)) + 1.D0) @@ -198,7 +200,7 @@ MODULE moduleProbe WRITE(tstring, iterationFormat) t WRITE(pstring, "(I3.3)") self%id - fileName='OUTPUT_' // tstring// '_f_' // pstring // '.dat' + fileName='Probe_' // tstring// '_f_' // pstring // '.dat' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (10, file = path // folder // '/' // fileName) WRITE(10, "(A1, 1X, A)") "# ", self%species%name @@ -268,7 +270,7 @@ MODULE moduleProbe DO i = 1, nProbes probe(i)%f = 0.D0 - probe(i)%update = MOD(t, probe(i)%every) == 0 .OR. t == tFinal + probe(i)%update = MOD(t, probe(i)%every) == 0 .OR. t == tFinal .OR. t == tInitial END DO diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index da2c9c4..69d4055 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -523,6 +523,8 @@ MODULE moduleSolver END IF + CALL outputProbes(t) + counterOutput = counterOutput + 1 IF (counterOutput >= triggerOutput .OR. & t == tFinal .OR. t == tInitial) THEN @@ -530,7 +532,6 @@ MODULE moduleSolver !Resets output counter counterOutput=0 - CALL outputProbes(t) CALL mesh%printOutput(t) IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) CALL mesh%printEM(t) From 386ddd82dd538d1e62b4ee2e7f105ddc097332d6 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 23 Feb 2023 13:36:31 +0100 Subject: [PATCH 109/203] Probes in 0 iteration Probes are now written at the 0 iteration. Additionally, and this shouldn't be done, some small changes to the quad elements. This should be done in a separate commit, but I'm lazy. --- src/modules/init/moduleInput.f90 | 6 ++++++ src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 5 ++--- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 3 +-- src/modules/mesh/moduleMesh.f90 | 2 +- src/modules/moduleProbe.f90 | 10 ++++++++-- 5 files changed, 18 insertions(+), 8 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index da43e98..e68a732 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -314,6 +314,7 @@ MODULE moduleInput USE moduleOutput USE moduleRefParam USE moduleRandom + USE moduleProbe USE json_module IMPLICIT NONE @@ -420,6 +421,9 @@ MODULE moduleInput END IF + !Assign particles to probes + CALL doProbes(partNew) + END DO DEALLOCATE(sourceScalar, sourceArray) @@ -1089,6 +1093,8 @@ MODULE moduleInput END DO + CALL resetProbes(tInitial) + END SUBROUTINE readProbes SUBROUTINE readEMBoundary(config) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index d50263b..4341cb0 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -508,7 +508,7 @@ MODULE moduleMesh2DCart conv = 1.D0 XiO = 0.D0 - DO WHILE(conv > 1.D-2) + DO WHILE(conv > 1.D-4) dPsi = self%dPsi(XiO, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) @@ -516,8 +516,7 @@ MODULE moduleMesh2DCart fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%x), & DOT_PRODUCT(fPsi,self%y), & - 0.D0 /) - f = f - r + 0.D0 /) - r Xi = XiO - MATMUL(invJ, f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index f8e41b3..a2ffb7a 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -532,8 +532,7 @@ MODULE moduleMesh2DCyl fPsi = self%fPsi(XiO, 4) f = (/ DOT_PRODUCT(fPsi,self%z), & DOT_PRODUCT(fPsi,self%r), & - 0.D0 /) - f = f - r + 0.D0 /) - r Xi = XiO - MATMUL(invJ, f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index cb252e8..9a3c4ef 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -872,7 +872,7 @@ MODULE moduleMesh !If particles do not belong to the species, skip collision !This can happen, for example, if particle has been previously ionized or removed - !TODO: Try to find a way to no lose these collisions. Maybe check new 'k' and use that for the collision, maybe? + !TODO: Try to find a way to not lose these collisions. Maybe check new 'k' and use that for the collision? IF (part_i%species%n /= i .OR. & part_j%species%n /= j) THEN CYCLE diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index 83a567a..c7d3cf5 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -91,7 +91,13 @@ MODULE moduleProbe 1:self%nv(3))) !Number of iterations between output - self%every = NINT(timeStep/ tauMin / ti_ref) + IF (timeStep == 0.D0) THEN + self%every = 1 + + ELSE + self%every = NINT(timeStep/ tauMin / ti_ref) + + END IF !Maximum radius !TODO: Make this an input parameter @@ -270,7 +276,7 @@ MODULE moduleProbe DO i = 1, nProbes probe(i)%f = 0.D0 - probe(i)%update = MOD(t, probe(i)%every) == 0 .OR. t == tFinal .OR. t == tInitial + probe(i)%update = t == tFinal .OR. t == tInitial .OR. MOD(t, probe(i)%every) == 0 END DO From 601103105f469573a453f6334a45db9f7c6cd2f9 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 24 Feb 2023 21:46:01 +0100 Subject: [PATCH 110/203] First attempt at Coulomb collisions First attemp for Coulomb collisions based on the moments distribtuions. Still the method is not done and far from being complete but input options and basic math are implemented. --- src/fpakc.f90 | 4 +- src/makefile | 2 +- src/modules/common/moduleRefParam.f90 | 2 +- src/modules/init/moduleInput.f90 | 38 +++++- src/modules/makefile | 7 +- src/modules/mesh/moduleMesh.f90 | 173 ++++++++++++++++++++++++-- src/modules/moduleCoulomb.f90 | 91 ++++++++++++++ src/modules/solver/moduleSolver.f90 | 4 +- 8 files changed, 295 insertions(+), 26 deletions(-) create mode 100644 src/modules/moduleCoulomb.f90 diff --git a/src/fpakc.f90 b/src/fpakc.f90 index 3a8a033..e85f5f6 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -74,7 +74,7 @@ PROGRAM fpakc tColl = omp_get_wtime() !$OMP END SINGLE - IF (doMCC) THEN + IF (doMCCollisions) THEN CALL meshForMCC%doCollisions(t) END IF @@ -86,7 +86,7 @@ PROGRAM fpakc tCoul = omp_get_wTime() !$OMP END SINGLE - IF (ASSOCIATED(mesh%doCoulomb)) THEN + IF (doCoulombScattering) THEN CALL mesh%doCoulomb() END IF diff --git a/src/makefile b/src/makefile index c9c747d..247c7d2 100644 --- a/src/makefile +++ b/src/makefile @@ -4,7 +4,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleBoundary.o $(OBJDIR)/moduleCaseParam.o $(OBJDIR)/moduleRefParam.o \ $(OBJDIR)/moduleCollisions.o $(OBJDIR)/moduleTable.o $(OBJDIR)/moduleParallel.o \ $(OBJDIR)/moduleEM.o $(OBJDIR)/moduleRandom.o $(OBJDIR)/moduleMath.o \ - $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o \ + $(OBJDIR)/moduleProbe.o $(OBJDIR)/moduleAverage.o $(OBJDIR)/moduleCoulomb.o \ $(OBJDIR)/moduleMeshInoutCommon.o \ $(OBJDIR)/moduleMeshInputVTU.o $(OBJDIR)/moduleMeshOutputVTU.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ diff --git a/src/modules/common/moduleRefParam.f90 b/src/modules/common/moduleRefParam.f90 index 051190b..e8819ce 100644 --- a/src/modules/common/moduleRefParam.f90 +++ b/src/modules/common/moduleRefParam.f90 @@ -3,7 +3,7 @@ MODULE moduleRefParam !Parameters that define the problem (inputs) REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigmaVrel_ref !Reference parameters for non-dimensional problem - REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref + REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref, e_ref END MODULE moduleRefParam diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index e68a732..7af67db 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -144,6 +144,7 @@ MODULE moduleInput EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field Volt_ref = EF_ref*L_ref !reference voltage B_ref = m_ref / (ti_ref * qe) !reference magnetic field + e_ref = qe/(m_ref*v_ref**2) !reference charge !If a reference cross section is given, it is used CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) @@ -412,7 +413,7 @@ MODULE moduleInput CALL partInitial%add(partNew) !Assign particle to list in volume - IF (doMCC) THEN + IF (listInCells) THEN cell => meshforMCC%cells(partNew%cellColl)%obj CALL OMP_SET_LOCK(cell%lock) CALL cell%listPart_in(sp)%add(partNew) @@ -613,6 +614,7 @@ MODULE moduleInput USE moduleSpecies USE moduleList USE moduleCollisions + USE moduleCoulomb USE moduleErrors USE moduleMesh USE moduleCaseParam @@ -640,10 +642,11 @@ MODULE moduleInput !Firstly, check if the object 'interactions' exists CALL config%info('interactions', found) IF (found) THEN - !Checks if MC collisions have been defined + !Check if MC collisions have been defined CALL config%info('interactions.collisions', found) IF (found) THEN - !Reads collision time step + doMCCollisions = .TRUE. + !Read collision time step CALL config%info('interactions.timeStep', found) IF (found) THEN CALL config%get('interactions.timeStep', tauColl, found) @@ -752,8 +755,35 @@ MODULE moduleInput END IF + !Check if Coulomb scattering is defined + CALL config%info('interactions.Coulomb', found) + IF (found) THEN + + CALL config%info('interactions.Coulomb', found, n_children = nPairs) + IF (nPairs > 0) THEN + nCoulombPairs = nPairs + doCoulombScattering = .TRUE. + ALLOCATE(coulombMatrix(1:nPairs)) + DO i = 1, nPairs + WRITE(iString, '(I2)') i + object = 'interactions.Coulomb(' // TRIM(iString) // ')' + CALL config%get(object // '.species_i', species_i, found) + pt_i = speciesName2Index(species_i) + CALL config%get(object // '.species_j', species_j, found) + pt_j = speciesName2Index(species_j) + + CALL coulombMatrix(i)%init(pt_i, pt_j) + + END DO + + END IF + + END IF + END IF + listInCells = doMCCollisions .OR. doCoulombScattering + END SUBROUTINE readInteractions !Reads boundary conditions for the mesh @@ -906,8 +936,6 @@ MODULE moduleInput END IF - doMCC = ASSOCIATED(meshForMCC) - !Get the dimension of the geometry CALL config%get(object // '.dimension', mesh%dimen, found) IF (.NOT. found) THEN diff --git a/src/modules/makefile b/src/modules/makefile index 743144f..508bb56 100644 --- a/src/modules/makefile +++ b/src/modules/makefile @@ -1,6 +1,6 @@ OBJS = common.o output.o mesh.o solver.o init.o \ moduleBoundary.o moduleCollisions.o moduleInject.o \ - moduleList.o moduleProbe.o \ + moduleList.o moduleProbe.o moduleCoulomb.o \ moduleSpecies.o all: $(OBJS) @@ -11,7 +11,7 @@ common.o: output.o: moduleSpecies.o common.o $(MAKE) -C output all -mesh.o: moduleCollisions.o moduleBoundary.o output.o common.o +mesh.o: moduleCollisions.o moduleCoulomb.o moduleBoundary.o output.o common.o $(MAKE) -C mesh all solver.o: moduleSpecies.o moduleProbe.o common.o output.o mesh.o @@ -26,6 +26,9 @@ moduleBoundary.o: common.o moduleBoundary.f90 moduleCollisions.o: moduleList.o moduleSpecies.o common.o moduleCollisions.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ +moduleCoulomb.o: moduleSpecies.o common.o moduleCoulomb.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + moduleList.o: common.o moduleSpecies.o moduleList.f90 $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 9a3c4ef..6607fd0 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -300,7 +300,7 @@ MODULE moduleMesh END FUNCTION inside_interface - PURE FUNCTION phy2log_interface(self,r) RESULT(Xi) + PURE FUNCTION phy2log_interface(self,r) RESULT(Xi) IMPORT:: meshCell CLASS(meshCell), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) @@ -387,17 +387,17 @@ MODULE moduleMesh !Array of boundary elements TYPE(meshEdgeCont), ALLOCATABLE:: edges(:) !Global stiffness matrix - REAL(8), ALLOCATABLE, DIMENSION(:,:):: K + REAL(8), ALLOCATABLE, DIMENSION(:,:):: K !Permutation matrix for P L U factorization INTEGER, ALLOCATABLE, DIMENSION(:,:):: IPIV !PROCEDURES SPECIFIC OF FILE TYPE PROCEDURE(printOutput_interface), POINTER, PASS:: printOutput => NULL() PROCEDURE(printEM_interface), POINTER, PASS:: printEM => NULL() - PROCEDURE(doCoulomb_interface), POINTER, PASS:: doCoulomb => NULL() PROCEDURE(printAverage_interface), POINTER, PASS:: printAverage => NULL() CONTAINS !GENERIC PROCEDURES PROCEDURE, PASS:: constructGlobalK + PROCEDURE, PASS:: doCoulomb END TYPE meshParticles @@ -424,7 +424,7 @@ MODULE moduleMesh CLASS(meshParticles), INTENT(inout):: self END SUBROUTINE doCoulomb_interface - + !Prints average values SUBROUTINE printAverage_interface(self) IMPORT meshParticles @@ -481,7 +481,11 @@ MODULE moduleMesh !Logical to indicate if an specific mesh for MC Collisions is used LOGICAL:: doubleMesh !Logical to indicate if MCC collisions are performed - LOGICAL:: doMCC + LOGICAL:: doMCCollisions = .FALSE. + !Logical to indicate if Coulomb scattering is performed + LOGICAL:: doCoulombScattering = .FALSE. + !Logica to indicate if particles have to be listed in list inside the cells + LOGICAL:: listInCells = .FALSE. !Complete path for the two meshes CHARACTER(:), ALLOCATABLE:: pathMeshColl, pathMeshParticle @@ -511,7 +515,7 @@ MODULE moduleMesh END DO END DO - + DEALLOCATE(n, localK) END DO @@ -616,7 +620,7 @@ MODULE moduleMesh tensorS = outerProduct(part%v, part%v) sp = part%species%n - + DO i = 1, nNodes node => mesh%nodes(cellNodes(i))%obj CALL OMP_SET_LOCK(node%lock) @@ -650,7 +654,7 @@ MODULE moduleMesh part%Xi = Xi part%n_in = .TRUE. !Assign particle to listPart_in - IF (doMCC) THEN + IF (listInCells) THEN CALL OMP_SET_LOCK(self%lock) sp = part%species%n CALL self%listPart_in(sp)%add(part) @@ -673,7 +677,7 @@ MODULE moduleMesh CALL neighbourElement%fBoundary(part%species%n)%apply(neighbourElement,part) !If particle is still inside the domain, call findCell - IF (part%n_in) THEN + IF (part%n_in) THEN IF(PRESENT(oldCell)) THEN CALL self%findCell(part, oldCell) @@ -719,13 +723,13 @@ MODULE moduleMesh INTEGER:: sp found = .FALSE. - + cell => meshColl%cells(part%cellColl)%obj DO WHILE(.NOT. found) Xi = cell%phy2log(part%r) IF (cell%inside(Xi)) THEN part%cellColl = cell%n - IF (doMCC) THEN + IF (listInCells) THEN CALL OMP_SET_LOCK(cell%lock) sp = part%species%n CALL cell%listPart_in(sp)%add(part) @@ -923,7 +927,7 @@ MODULE moduleMesh END DO END IF - + !Deallocate arrays for next collision DEALLOCATE(sigmaVrel, probabilityColl) @@ -946,9 +950,152 @@ MODULE moduleMesh END SUBROUTINE doCollisions SUBROUTINE doCoulomb(self) + USE moduleCoulomb + USE moduleRandom + USE moduleOutput + USE moduleList + USE moduleMath + USE moduleRefParam + USE moduleConstParam IMPLICIT NONE - CLASS(meshParticles), INTENT(inout):: self + CLASS(meshParticles), INTENT(in), TARGET:: self + CLASS(meshCell), POINTER:: cell + INTEGER:: e + INTEGER:: k + INTEGER:: i, j + INTEGER:: n + TYPE(lNode), POINTER:: partTemp + REAL(8):: W(3), dW(2) !Relative velocity between particle and species and its increment + INTEGER(8), ALLOCATABLE:: cellNodes(:) + CLASS(meshNode), POINTER:: node + TYPE(outputFormat):: output + REAL(8), ALLOCATABLE:: densityNodes(:), velocityNodes(:,:), temperatureNodes(:) !values in node + REAL(8):: density, velocity(1:3), temperature!values at particle position + REAL(8), DIMENSION(1:3):: e1, e2, e3 + REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square + REAL(8):: l, lW, AW + REAL(8):: rnd + + + DO e = 1, self%numCells + cell => self%cells(e)%obj + cellNodes = cell%getNodes(cell%nNodes) + + ALLOCATE(densityNodes(1:cell%nNodes), & + velocityNodes(1:cell%nNodes, 1:3), & + temperatureNodes(1:cell%nNodes)) + + DO k=1, nCoulombPairs + i = coulombMatrix(k)%sp_i%n + j = coulombMatrix(k)%sp_j%n + + !Do scattering of particles from species_i due to species j + !Compute background properties of species_j + DO n = 1, cell%nNodes + node => self%nodes(cellNodes(n))%obj + CALL calculateOutput(node%output(j), output, node%v, coulombMatrix(k)%sp_j) + densityNodes(n) = output%density/n_ref + velocityNodes(n,1:3) = output%velocity(1:3)/v_ref + temperatureNodes(n) = output%temperature/T_ref + + END DO + + !Loop over particles of species_i + partTemp => cell%listPart_in(i)%head + DO WHILE(ASSOCIATED(partTemp)) + density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) + velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) + temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) + l = coulombMatrix(k)%l_j/SQRT(temperature) + + W = partTemp%part%v - velocity + lW = l * NORM2(W) + AW = coulombMatrix(k)%A_ij/NORM2(W) + !Axis of the relative velocity + !First one is parallel to the relative velocity + e1 = normalize(W) + !Second one is perpendicular to it + e2(1) = -e1(2) + e2(2) = e1(1) + e2(3) = 0.D0 + e2 = normalize(e2) + !Third one is perpendicular to the other two + e3 = crossProduct(e2, e1) + e3 = normalize(e3) + + delta_par = -coulombMatrix(k)%A_ij*coulombMatrix(k)%one_plus_massRatio_ij*density*l**2*G(lW) + + delta_par_square = AW*density*G(lW) + + delta_per_square = AW*density*H(lW) + + dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) + dW(2) = DABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) + + rnd = random() + partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(PI2*rnd)*e2 + & + SIN(PI2*rnd)*e3) + + partTemp => partTemp%next + + END DO + + IF (i /= j) THEN + !Do scattering of particles from species_j due to species i + DO n = 1, cell%nNodes + node => self%nodes(cellNodes(n))%obj + CALL calculateOutput(node%output(i), output, node%v, coulombMatrix(k)%sp_i) + densityNodes(n) = output%density/n_ref + velocityNodes(n,1:3) = output%velocity(1:3)/v_ref + temperatureNodes(n) = output%temperature/T_ref + + END DO + + partTemp => cell%listPart_in(j)%head + DO WHILE(ASSOCIATED(partTemp)) + density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) + velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) + temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) + l = coulombMatrix(k)%l_i/SQRT(temperature) + + W = partTemp%part%v - velocity + lW = l * NORM2(W) + AW = coulombMatrix(k)%A_ji/NORM2(W) + !Axis of the relative velocity + !First one is parallel to the relative velocity + e1 = normalize(W) + !Second one is perpendicular to it + e2(1) = -e1(2) + e2(2) = e1(1) + e2(3) = 0.D0 + e2 = normalize(e2) + !Third one is perpendicular to the other two + e3 = crossProduct(e2, e1) + e3 = normalize(e3) + + delta_par = -coulombMatrix(k)%A_ji*coulombMatrix(k)%one_plus_massRatio_ji*density*l**2*G(lW) + + delta_par_square = AW*density*G(lW) + + delta_per_square = AW*density*H(lW) + + dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) + dW(2) = DABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) + + rnd = random() + partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(PI2*rnd)*e2 + & + SIN(PI2*rnd)*e3) + + partTemp => partTemp%next + + END DO + + END IF + + END DO + + END DO END SUBROUTINE doCoulomb diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 new file mode 100644 index 0000000..734b898 --- /dev/null +++ b/src/modules/moduleCoulomb.f90 @@ -0,0 +1,91 @@ +MODULE moduleCoulomb + USE moduleSpecies + IMPLICIT NONE + + INTEGER:: nCoulombPairs = 0 + + !Type for Coulomb iteraction matrix + TYPE:: interactionsCoulomb + CLASS(speciesGeneric), POINTER:: sp_i + CLASS(speciesGeneric), POINTER:: sp_j + REAL(8):: one_plus_massRatio_ij, one_plus_massRatio_ji + REAL(8):: lnCoulomb !This can be done a function in the future + REAL(8):: A_ij, A_ji + REAL(8):: l_j, l_i + CONTAINS + PROCEDURE, PASS:: init => initInteractionCoulomb + + END TYPE interactionsCoulomb + + !Coulomb collision 'matrix' + TYPE(interactionsCoulomb), ALLOCATABLE:: coulombMatrix(:) + + CONTAINS + PURE REAL(8) FUNCTION G(x) + USE moduleConstParam + IMPLICIT NONE + + REAL(8), INTENT(in):: x + + G = 0.D0 + IF (x /= 0.D0) THEN + G = (ERF(x) - x*2.D0/SQRT(PI)*EXP(-x**2))/(2.D0*x**2) + + END IF + + END FUNCTION G + + PURE REAL(8) FUNCTION H(x) + IMPLICIT NONE + + REAL(8), INTENT(in):: x + + H = ERF(x) - G(x) + + END FUNCTION H + + SUBROUTINE initInteractionCoulomb(self, i, j) + USE moduleSpecies + USE moduleErrors + USE moduleConstParam + USE moduleRefParam + IMPLICIT NONE + + CLASS(interactionsCoulomb), INTENT(out):: self + INTEGER, INTENT(in):: i, j + REAL(8):: Z_i, Z_j + + self%sp_i => species(i)%obj + self%sp_j => species(j)%obj + + self%one_plus_massRatio_ij = 1.D0 + (self%sp_i%weight*self%sp_i%m)/(self%sp_j%weight*self%sp_j%m) + self%one_plus_massRatio_ji = 1.D0 + (self%sp_j%weight*self%sp_j%m)/(self%sp_i%weight*self%sp_i%m) + + SELECT TYPE(sp => self%sp_i) + TYPE IS (speciesCharged) + Z_i = sp%q + + CLASS DEFAULT + CALL criticalError('Species ' // sp%name // ' for Coulomb scattering has no charge', 'initInteractionCoulomb') + + END SELECT + + SELECT TYPE(sp => self%sp_j) + TYPE IS (speciesCharged) + Z_j = sp%q + + CLASS DEFAULT + CALL criticalError('Species ' // sp%name // ' for Coulomb scattering has no charge', 'initInteractionCoulomb') + + END SELECT + + self%lnCoulomb = 12.0 + self%A_ij = 8.D0*PI*Z_i**2*Z_j**2*e_ref**4*self%lnCoulomb / self%sp_i%m + self%A_ji = 8.D0*PI*Z_j**2*Z_i**2*e_ref**4*self%lnCoulomb / self%sp_j%m + + self%l_j = SQRT(self%sp_j%m / 2.D0) !Missing temperature because it's cell dependent + self%l_i = SQRT(self%sp_i%m / 2.D0) !Missing temperature because it's cell dependent + + END SUBROUTINE initInteractionCoulomb + +END MODULE moduleCoulomb diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 69d4055..12f9e9a 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -322,7 +322,7 @@ MODULE moduleSolver !$OMP SECTION !Erase the list of particles inside the cell if particles have been pushed - IF (doMCC) THEN + IF (listInCells) THEN DO s = 1, nSpecies DO e = 1, mesh%numCells IF (solver%pusher(s)%pushSpecies) THEN @@ -456,7 +456,7 @@ MODULE moduleSolver CALL partWScheme%unsetLock() !Add particle to cell list sp = part%species%n - IF (doMCC) THEN + IF (listInCells) THEN CALL OMP_SET_lock(cell%lock) CALL cell%listPart_in(sp)%add(newPart) CALL OMP_UNSET_lock(cell%lock) From 6113ac3305799e734b6032b671a696ffc9fe63ab Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Mon, 6 Mar 2023 16:16:17 +0100 Subject: [PATCH 111/203] Correction with conservation Now the method is much better in conserving total energy. However, still there is an issue with collisions between species of dispaprate mass. --- src/modules/mesh/moduleMesh.f90 | 91 ++++++++++++++++++--------------- src/modules/moduleCoulomb.f90 | 15 +++--- 2 files changed, 59 insertions(+), 47 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 6607fd0..478fd83 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -966,7 +966,6 @@ MODULE moduleMesh INTEGER:: i, j INTEGER:: n TYPE(lNode), POINTER:: partTemp - REAL(8):: W(3), dW(2) !Relative velocity between particle and species and its increment INTEGER(8), ALLOCATABLE:: cellNodes(:) CLASS(meshNode), POINTER:: node TYPE(outputFormat):: output @@ -974,7 +973,8 @@ MODULE moduleMesh REAL(8):: density, velocity(1:3), temperature!values at particle position REAL(8), DIMENSION(1:3):: e1, e2, e3 REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square - REAL(8):: l, lW, AW + REAL(8):: W(3), dW(2), normW !Relative velocity between particle and species and its increment + REAL(8):: l2, l, lW, AW REAL(8):: rnd @@ -1007,12 +1007,25 @@ MODULE moduleMesh density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - l = coulombMatrix(k)%l_j/SQRT(temperature) + + l2 = coulombMatrix(k)%l2_j/temperature + l = SQRT(l2) W = partTemp%part%v - velocity - lW = l * NORM2(W) - AW = coulombMatrix(k)%A_ij/NORM2(W) - !Axis of the relative velocity + normW = NORM2(W) + lW = l * normW + AW = coulombMatrix(k)%A_i/normW + + delta_par = -coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*density*l2*G(lW) + + delta_par_square = AW*density*G(lW) + + delta_per_square = AW*density*H(lW) + + dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) + dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) + + !System of reference for the velocity change !First one is parallel to the relative velocity e1 = normalize(W) !Second one is perpendicular to it @@ -1024,18 +1037,12 @@ MODULE moduleMesh e3 = crossProduct(e2, e1) e3 = normalize(e3) - delta_par = -coulombMatrix(k)%A_ij*coulombMatrix(k)%one_plus_massRatio_ij*density*l**2*G(lW) + !Random number for direction + rnd = PI2*random() - delta_par_square = AW*density*G(lW) - - delta_per_square = AW*density*H(lW) - - dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) - dW(2) = DABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) - - rnd = random() - partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(PI2*rnd)*e2 + & - SIN(PI2*rnd)*e3) + !Change particle velocity + partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(rnd)*e2 + & + SIN(rnd)*e3) partTemp => partTemp%next @@ -1049,20 +1056,33 @@ MODULE moduleMesh densityNodes(n) = output%density/n_ref velocityNodes(n,1:3) = output%velocity(1:3)/v_ref temperatureNodes(n) = output%temperature/T_ref - + END DO - + partTemp => cell%listPart_in(j)%head DO WHILE(ASSOCIATED(partTemp)) density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - l = coulombMatrix(k)%l_i/SQRT(temperature) - + + l2 = coulombMatrix(k)%l2_i/temperature + l = SQRT(l2) + W = partTemp%part%v - velocity - lW = l * NORM2(W) - AW = coulombMatrix(k)%A_ji/NORM2(W) - !Axis of the relative velocity + normW = NORM2(W) + lW = l * normW + AW = coulombMatrix(k)%A_j/normW + + delta_par = -coulombMatrix(k)%A_j*coulombMatrix(k)%one_plus_massRatio_ji*density*l2*G(lW) + + delta_par_square = AW*density*G(lW) + + delta_per_square = AW*density*H(lW) + + dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) + dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) + + !System of reference for the velocity change !First one is parallel to the relative velocity e1 = normalize(W) !Second one is perpendicular to it @@ -1073,24 +1093,15 @@ MODULE moduleMesh !Third one is perpendicular to the other two e3 = crossProduct(e2, e1) e3 = normalize(e3) - - delta_par = -coulombMatrix(k)%A_ji*coulombMatrix(k)%one_plus_massRatio_ji*density*l**2*G(lW) - - delta_par_square = AW*density*G(lW) - - delta_per_square = AW*density*H(lW) - - dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) - dW(2) = DABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) - - rnd = random() - partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(PI2*rnd)*e2 + & - SIN(PI2*rnd)*e3) - + + rnd = PI2*random() + partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(rnd)*e2 + & + SIN(rnd)*e3) + partTemp => partTemp%next - + END DO - + END IF END DO diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 734b898..775caad 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -10,8 +10,8 @@ MODULE moduleCoulomb CLASS(speciesGeneric), POINTER:: sp_j REAL(8):: one_plus_massRatio_ij, one_plus_massRatio_ji REAL(8):: lnCoulomb !This can be done a function in the future - REAL(8):: A_ij, A_ji - REAL(8):: l_j, l_i + REAL(8):: A_i, A_j + REAL(8):: l2_j, l2_i CONTAINS PROCEDURE, PASS:: init => initInteractionCoulomb @@ -79,12 +79,13 @@ MODULE moduleCoulomb END SELECT - self%lnCoulomb = 12.0 - self%A_ij = 8.D0*PI*Z_i**2*Z_j**2*e_ref**4*self%lnCoulomb / self%sp_i%m - self%A_ji = 8.D0*PI*Z_j**2*Z_i**2*e_ref**4*self%lnCoulomb / self%sp_j%m + self%lnCoulomb = 12.0 !Make this function dependent - self%l_j = SQRT(self%sp_j%m / 2.D0) !Missing temperature because it's cell dependent - self%l_i = SQRT(self%sp_i%m / 2.D0) !Missing temperature because it's cell dependent + self%A_i = 8.D0*PI*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 + self%A_j = 8.D0*PI*Z_j**2*Z_i**2*self%lnCoulomb / self%sp_j%m**2 + + self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent + self%l2_i = self%sp_i%m / 2.D0 !Missing temperature because it's cell dependent END SUBROUTINE initInteractionCoulomb From f8af7a8dae9106b22d29caed88388e8f58d6ff7d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 7 Mar 2023 10:10:54 +0100 Subject: [PATCH 112/203] No progress in fixing Coulomb collisions with mass ratio I am starting to think that the only fix is to reduce the time step, but that is too harsh. --- src/modules/mesh/moduleMesh.f90 | 34 ++++++++++++++++++++------------- src/modules/moduleCoulomb.f90 | 2 +- 2 files changed, 22 insertions(+), 14 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 478fd83..c80eec3 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -978,6 +978,7 @@ MODULE moduleMesh REAL(8):: rnd + !$OMP SINGLE DO e = 1, self%numCells cell => self%cells(e)%obj cellNodes = cell%getNodes(cell%nNodes) @@ -1016,6 +1017,7 @@ MODULE moduleMesh lW = l * normW AW = coulombMatrix(k)%A_i/normW + delta_par = -coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*density*l2*G(lW) delta_par_square = AW*density*G(lW) @@ -1050,38 +1052,40 @@ MODULE moduleMesh IF (i /= j) THEN !Do scattering of particles from species_j due to species i + !Compute background properties of species_i DO n = 1, cell%nNodes node => self%nodes(cellNodes(n))%obj CALL calculateOutput(node%output(i), output, node%v, coulombMatrix(k)%sp_i) densityNodes(n) = output%density/n_ref velocityNodes(n,1:3) = output%velocity(1:3)/v_ref temperatureNodes(n) = output%temperature/T_ref - + END DO - + + !Loop over particles of species_j partTemp => cell%listPart_in(j)%head DO WHILE(ASSOCIATED(partTemp)) density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - + l2 = coulombMatrix(k)%l2_i/temperature l = SQRT(l2) - + W = partTemp%part%v - velocity normW = NORM2(W) lW = l * normW AW = coulombMatrix(k)%A_j/normW - + delta_par = -coulombMatrix(k)%A_j*coulombMatrix(k)%one_plus_massRatio_ji*density*l2*G(lW) - + delta_par_square = AW*density*G(lW) - + delta_per_square = AW*density*H(lW) - + dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) - + !System of reference for the velocity change !First one is parallel to the relative velocity e1 = normalize(W) @@ -1093,20 +1097,24 @@ MODULE moduleMesh !Third one is perpendicular to the other two e3 = crossProduct(e2, e1) e3 = normalize(e3) - + + !Random number for direction rnd = PI2*random() + + !Change particle velocity partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(rnd)*e2 + & SIN(rnd)*e3) - + partTemp => partTemp%next - + END DO - + END IF END DO END DO + !$OMP END SINGLE END SUBROUTINE doCoulomb diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 775caad..85f4f49 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -79,7 +79,7 @@ MODULE moduleCoulomb END SELECT - self%lnCoulomb = 12.0 !Make this function dependent + self%lnCoulomb = 10.0 !Make this function dependent self%A_i = 8.D0*PI*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 self%A_j = 8.D0*PI*Z_j**2*Z_i**2*self%lnCoulomb / self%sp_j%m**2 From fe94615a275abd17ff23cc62c2eb4ecd4cfbaa32 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 8 Mar 2023 16:37:45 +0100 Subject: [PATCH 113/203] First conservative implementation of Coulomb I am doing a trick in which I ensure that energy is conserved for Coulomb collisions. This was not happening and what an issue for different mass ratios. Still, this can cause an issue on getting the right relaxation rates, still necessary to check it. --- src/modules/common/moduleRefParam.f90 | 2 +- src/modules/init/moduleInput.f90 | 1 - src/modules/mesh/moduleMesh.f90 | 29 ++++++++++++++++++--------- src/modules/moduleCoulomb.f90 | 7 +++++-- 4 files changed, 26 insertions(+), 13 deletions(-) diff --git a/src/modules/common/moduleRefParam.f90 b/src/modules/common/moduleRefParam.f90 index e8819ce..051190b 100644 --- a/src/modules/common/moduleRefParam.f90 +++ b/src/modules/common/moduleRefParam.f90 @@ -3,7 +3,7 @@ MODULE moduleRefParam !Parameters that define the problem (inputs) REAL(8):: n_ref, m_ref, T_ref, r_ref, debye_ref, sigmaVrel_ref !Reference parameters for non-dimensional problem - REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref, e_ref + REAL(8):: L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref END MODULE moduleRefParam diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 7af67db..c8beb0f 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -144,7 +144,6 @@ MODULE moduleInput EF_ref = qe*n_ref*L_ref/eps_0 !reference electric field Volt_ref = EF_ref*L_ref !reference voltage B_ref = m_ref / (ti_ref * qe) !reference magnetic field - e_ref = qe/(m_ref*v_ref**2) !reference charge !If a reference cross section is given, it is used CALL config%get(object // '.sigmaVrel', sigmavRel_ref, found) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index c80eec3..a62cfb2 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -975,10 +975,11 @@ MODULE moduleMesh REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square REAL(8):: W(3), dW(2), normW !Relative velocity between particle and species and its increment REAL(8):: l2, l, lW, AW + REAL(8):: deltaV(1:3), totalDeltaV_ij, normDeltaV REAL(8):: rnd - !$OMP SINGLE + !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(partTemp) DO e = 1, self%numCells cell => self%cells(e)%obj cellNodes = cell%getNodes(cell%nNodes) @@ -1003,6 +1004,7 @@ MODULE moduleMesh END DO !Loop over particles of species_i + totalDeltaV_ij = 0.D0 partTemp => cell%listPart_in(i)%head DO WHILE(ASSOCIATED(partTemp)) density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) @@ -1036,16 +1038,18 @@ MODULE moduleMesh e2(3) = 0.D0 e2 = normalize(e2) !Third one is perpendicular to the other two - e3 = crossProduct(e2, e1) + e3 = crossProduct(e1, e2) e3 = normalize(e3) !Random number for direction rnd = PI2*random() - !Change particle velocity - partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(rnd)*e2 + & - SIN(rnd)*e3) + deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) + totalDeltaV_ij = totalDeltaV_ij + NORM2(deltaV) + !Change particle velocity + partTemp%part%v = partTemp%part%v + deltaV + partTemp => partTemp%next END DO @@ -1062,6 +1066,8 @@ MODULE moduleMesh END DO + !Divide total momentum exchanged among all the particles of species j + normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * (self%sp_i%weight*self%sp_i%m)/(self%sp_j%weight*self%sp_j%m) !Loop over particles of species_j partTemp => cell%listPart_in(j)%head DO WHILE(ASSOCIATED(partTemp)) @@ -1086,6 +1092,10 @@ MODULE moduleMesh dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) + !Normalize with average exchange per particle + !TODO: This is a dirty trick, it should not be neccessary but I don't lnow why it is. + dW = normDeltaV*dW/NORM2(dW) + !System of reference for the velocity change !First one is parallel to the relative velocity e1 = normalize(W) @@ -1095,15 +1105,16 @@ MODULE moduleMesh e2(3) = 0.D0 e2 = normalize(e2) !Third one is perpendicular to the other two - e3 = crossProduct(e2, e1) + e3 = crossProduct(e1, e2) e3 = normalize(e3) !Random number for direction rnd = PI2*random() + deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) + !Change particle velocity - partTemp%part%v = partTemp%part%v + dW(1)*e1 + dW(2)*(COS(rnd)*e2 + & - SIN(rnd)*e3) + partTemp%part%v = partTemp%part%v + deltaV partTemp => partTemp%next @@ -1114,7 +1125,7 @@ MODULE moduleMesh END DO END DO - !$OMP END SINGLE + !$OMP END DO END SUBROUTINE doCoulomb diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 85f4f49..ab931e0 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -54,6 +54,7 @@ MODULE moduleCoulomb CLASS(interactionsCoulomb), INTENT(out):: self INTEGER, INTENT(in):: i, j REAL(8):: Z_i, Z_j + REAL(8):: scaleFactor self%sp_i => species(i)%obj self%sp_j => species(j)%obj @@ -81,8 +82,10 @@ MODULE moduleCoulomb self%lnCoulomb = 10.0 !Make this function dependent - self%A_i = 8.D0*PI*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 - self%A_j = 8.D0*PI*Z_j**2*Z_i**2*self%lnCoulomb / self%sp_j%m**2 + scaleFactor = (n_ref * qe**4) / (eps_0**2 * m_ref**2 * v_ref**3) * ti_ref + + self%A_i = 2.D0*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 * scaleFactor + self%A_j = 2.D0*Z_j**2*Z_i**2*self%lnCoulomb / self%sp_j%m**2 * scaleFactor self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent self%l2_i = self%sp_i%m / 2.D0 !Missing temperature because it's cell dependent From a70788b95d66d69f017c6b1d3e34e4e5b1e442fd Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 8 Mar 2023 19:42:15 +0100 Subject: [PATCH 114/203] Fix an issue with compilation Copy paste error. Now the code compiles. --- src/modules/mesh/moduleMesh.f90 | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index a62cfb2..7c3c4c3 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -1067,7 +1067,9 @@ MODULE moduleMesh END DO !Divide total momentum exchanged among all the particles of species j - normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * (self%sp_i%weight*self%sp_i%m)/(self%sp_j%weight*self%sp_j%m) + normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * & + (coulombMatrix(k)%sp_i%weight*coulombMatrix(k)%sp_i%m) / & + (coulombMatrix(k)%sp_j%weight*coulombMatrix(k)%sp_j%m) !Loop over particles of species_j partTemp => cell%listPart_in(j)%head DO WHILE(ASSOCIATED(partTemp)) @@ -1124,6 +1126,8 @@ MODULE moduleMesh END DO + DEALLOCATE(densityNodes, velocityNodes, temperatureNodes) + END DO !$OMP END DO From f4448d9e7ad0c6c7a3d24d67f124b9181a601cdd Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 12 Mar 2023 17:02:12 +0100 Subject: [PATCH 115/203] Fixed segmentation fault in Coulomb collisions When the relative velocity between a charged particle and the background for Coulomb collisions (W in the code) was low, there was a segmentation fault. This is fixed now as if the norm of the relative velocity (normW) in the code is too low, no collision is applied. --- src/modules/mesh/moduleMesh.f90 | 16 ++++++++++++++++ src/modules/solver/moduleSolver.f90 | 1 - 2 files changed, 16 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 7c3c4c3..c23990a 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -1016,6 +1016,14 @@ MODULE moduleMesh W = partTemp%part%v - velocity normW = NORM2(W) + IF (normW > 1.D-10) THEN + !If relative velocity is too low, skip collision and move to next particle + partTemp => partTemp%next + + CYCLE + + END IF + lW = l * normW AW = coulombMatrix(k)%A_i/normW @@ -1082,6 +1090,14 @@ MODULE moduleMesh W = partTemp%part%v - velocity normW = NORM2(W) + IF (normW > 1.D-10) THEN + !If relative velocity is too low, skip collision and move to next particle + partTemp => partTemp%next + + CYCLE + + END IF + lW = l * normW AW = coulombMatrix(k)%A_j/normW diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 12f9e9a..e539fed 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -70,7 +70,6 @@ MODULE moduleSolver CHARACTER(:), ALLOCATABLE:: pusherType REAL(8):: tau, tauSp - !TODO: Reorganize if Cart pushers are combined SELECT CASE(mesh%dimen) CASE(0) self%pushParticle => push0D From ed6c2c46e4c6e9ca5efe13c750b9bc24eb95ef1e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 29 Mar 2023 10:08:11 +0200 Subject: [PATCH 116/203] I'm a fucking idiot The limit I set to avoid divisions by zero was wront and collisions were being skipped. It is corrected now. --- src/modules/init/moduleInput.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 8 +++++--- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index c8beb0f..6ac8318 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -155,7 +155,7 @@ MODULE moduleInput sigmaVrel_ref = PI*(r_ref+r_ref)**2*v_ref !reference cross section times velocity ELSE - sigmaVrel_ref = 0.D0 !Assume no collisions + sigmaVrel_ref = L_ref**2 * v_ref END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index c23990a..03dd356 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -1016,7 +1016,7 @@ MODULE moduleMesh W = partTemp%part%v - velocity normW = NORM2(W) - IF (normW > 1.D-10) THEN + IF (normW < 1.D-12) THEN !If relative velocity is too low, skip collision and move to next particle partTemp => partTemp%next @@ -1055,6 +1055,7 @@ MODULE moduleMesh deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) totalDeltaV_ij = totalDeltaV_ij + NORM2(deltaV) + !Change particle velocity partTemp%part%v = partTemp%part%v + deltaV @@ -1078,6 +1079,7 @@ MODULE moduleMesh normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * & (coulombMatrix(k)%sp_i%weight*coulombMatrix(k)%sp_i%m) / & (coulombMatrix(k)%sp_j%weight*coulombMatrix(k)%sp_j%m) + !Loop over particles of species_j partTemp => cell%listPart_in(j)%head DO WHILE(ASSOCIATED(partTemp)) @@ -1090,7 +1092,7 @@ MODULE moduleMesh W = partTemp%part%v - velocity normW = NORM2(W) - IF (normW > 1.D-10) THEN + IF (normW < 1.D-12) THEN !If relative velocity is too low, skip collision and move to next particle partTemp => partTemp%next @@ -1111,7 +1113,7 @@ MODULE moduleMesh dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) !Normalize with average exchange per particle - !TODO: This is a dirty trick, it should not be neccessary but I don't lnow why it is. + !TODO: This is a dirty trick to ensure conservation between species dW = normDeltaV*dW/NORM2(dW) !System of reference for the velocity change From 94a4864e6a71d92f0dd08e6ecd83ec48a8ae76c2 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Mon, 22 May 2023 15:14:33 +0200 Subject: [PATCH 117/203] Issue with injection of particles I was having a lot of issues trying to get quasi-neutrality with the injection of electrons and ions. Main issue was a definition of the direction of injection. This should be fixed now (tested in 1D). Added a definition for Half-Maxwellian velocity distribution. WARNING: I'm still not happy at all about the definition of the direction of injection and the velocity definition to be in that direction so I might change it at some point (for example take into account the sign of each direction in the thermal part of the velocity) --- src/modules/init/moduleInput.f90 | 12 +++---- src/modules/moduleInject.f90 | 57 ++++++++++++++++++++++++-------- 2 files changed, 49 insertions(+), 20 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 6ac8318..9891806 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1222,7 +1222,6 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: name REAL(8):: v REAL(8), ALLOCATABLE:: T(:), normal(:) - LOGICAL:: fixDirection REAL(8):: flow CHARACTER(:), ALLOCATABLE:: units INTEGER:: physicalSurface @@ -1243,10 +1242,7 @@ MODULE moduleInput CALL config%get(object // '.v', v, found) CALL config%get(object // '.T', T, found) CALL config%get(object // '.n', normal, found) - IF (found) THEN - fixDirection = .TRUE. - ELSE - fixDirection = .FALSE. + IF (.NOT. found) THEN ALLOCATE(normal(1:3)) normal = 0.D0 END IF @@ -1254,7 +1250,7 @@ MODULE moduleInput CALL config%get(object // '.units', units, found) CALL config%get(object // '.physicalSurface', physicalSurface, found) - CALL inject(i)%init(i, v, normal, fixDirection, T, flow, units, sp, physicalSurface) + CALL inject(i)%init(i, v, normal, T, flow, units, sp, physicalSurface) CALL readVelDistr(config, inject(i), object) @@ -1333,6 +1329,10 @@ MODULE moduleInput T = inj%T(i) CALL initVelDistMaxwellian(inj%v(i)%obj, t, m) + CASE ("Half-Maxwellian") + T = inj%T(i) + CALL initVelDistHalfMaxwellian(inj%v(i)%obj, t, m) + CASE ("Delta") v = inj%vMod*inj%n(i) CALL initVelDistDelta(inj%v(i)%obj) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index e49fb04..e551f0f 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -35,6 +35,13 @@ MODULE moduleInject END TYPE velDistMaxwellian + TYPE, EXTENDS(velDistGeneric):: velDistHalfMaxwellian + REAL(8):: vTh !Thermal Velocity + CONTAINS + PROCEDURE, PASS:: randomVel => randomVelHalfMaxwellian + + END TYPE velDistHalfMaxwellian + !Dirac's delta distribution function TYPE, EXTENDS(velDistGeneric):: velDistDelta CONTAINS @@ -68,7 +75,7 @@ MODULE moduleInject CONTAINS !Initialize an injection of particles - SUBROUTINE initInject(self, i, v, n, fixDirection, T, flow, units, sp, physicalSurface) + SUBROUTINE initInject(self, i, v, n, T, flow, units, sp, physicalSurface) USE moduleMesh USE moduleRefParam USE moduleConstParam @@ -80,7 +87,6 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(inout):: self INTEGER, INTENT(in):: i REAL(8), INTENT(in):: v, n(1:3), T(1:3) - LOGICAL, INTENT(in):: fixDirection INTEGER, INTENT(in):: sp, physicalSurface REAL(8):: tauInject REAL(8), INTENT(in):: flow @@ -91,12 +97,7 @@ MODULE moduleInject self%id = i self%vMod = v / v_ref - IF (.NOT. fixDirection) THEN - self%n = n / NORM2(n) - ELSE - self%n = 0.D0 - END IF - self%fixDirection = fixDirection + self%n = n / NORM2(n) self%T = T / T_ref self%species => species(sp)%obj tauInject = tau(self%species%n) @@ -212,6 +213,16 @@ MODULE moduleInject END SUBROUTINE initVelDistMaxwellian + SUBROUTINE initVelDistHalfMaxwellian(velDist, T, m) + IMPLICIT NONE + + CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist + REAL(8), INTENT(in):: T, m + + velDist = velDistHalfMaxwellian(vTh = DSQRT(T/m)) + + END SUBROUTINE initVelDistHalfMaxwellian + SUBROUTINE initVelDistDelta(velDist) IMPLICIT NONE @@ -234,6 +245,22 @@ MODULE moduleInject END FUNCTION randomVelMaxwellian + !Random velocity from Half Maxwellian distribution + FUNCTION randomVelHalfMaxwellian(self) RESULT (v) + USE moduleRandom + IMPLICIT NONE + + CLASS(velDistHalfMaxwellian), INTENT(in):: self + REAL(8):: v + v = 0.D0 + + DO WHILE (v <= 0.D0) + v = self%vTh*randomMaxwellian() + + END DO + + END FUNCTION randomVelHalfMaxwellian + !Random velocity from Dirac's delta distribution PURE FUNCTION randomVelDelta(self) RESULT(v) IMPLICIT NONE @@ -305,18 +332,20 @@ MODULE moduleInject !Assign particle type partInj(n)%species => self%species - IF (self%fixDirection) THEN - direction = self%n + direction = self%n - ELSE - direction = randomEdge%normal - - END IF + partInj(n)%v = 0.D0 partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) + !If velocity is not in the right direction, invert it + IF (DOT_PRODUCT(direction, partInj(n)%v) < 0.D0) THEN + partInj(n)%v = - partInj(n)%v + + END IF + !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step From 2505cbecf20dc559a0babc62d56e89505f9e3db6 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Mon, 22 May 2023 15:20:11 +0200 Subject: [PATCH 118/203] Half-Maxwellian distribution added to the user manual The option to have half-Maxwellian distributions in the injection of particles has been added to the user manual. --- doc/user-manual/fpakc_UserManual.pdf | Bin 181687 -> 181729 bytes doc/user-manual/fpakc_UserManual.tex | 2 ++ 2 files changed, 2 insertions(+) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index da9471c2e3131c41080d8a832dc6ef1febb6fe46..0f549be45ee07a4401640d307fa3c5bdcc6e3cde 100644 GIT binary patch delta 77977 zcmV((K;XZ(iwoh43y|`Ej~h1(zR$0i<4jSjqC~x}1&ROx_K@1K=Hdr{K$&U~5rTy4jL%o%M?epQ(ee9f#WMUu4GCnAK+eiFiu3m#IbzI{BL`k(K+pMDLw57Ag_slPvT6_R=vtO=>~!DSPFWA5)y-5bSpyvKKHXkqNLTurto}r_NDMCQ~1hBLiK>&Us){ z6pA$^RZ8WFF&Sc^I9Bcuy)!Wgg#w%6`oJk0Pn8l(f~Dd{7J^M|Qmm9DLVsN`Xb-{S z)c}G?C99E*!rq#HKJ365NUs?A37&u56&YewL*7o)x5 zRC!2*TtJZdmVUBcd<>yP6H4QPHY+y4OP_9XdH49fZO`YE0+G=$0EW?{bSu_h* zZ7-kRO4y=*-X<}(bedCK(JB(knJ_;>;!C$8tRX*ZWvta4X5H$$86n|9P?0s1wE|C- zp#34Ynp{#+zYs~PdO=u0R?RCdhwr6$-_^NNufAxO6S|eFS$C$8WQ^8SL~T$krUW?$ zspjeYAQDb;amIn{D|3YDtU6R;qM*W6q9LGDaGL3VsON|7V#S$bvT{OL`0-G$dga?; zmh&DZXr-y;$$jb z5DErKnCYlzk(jKQI3_D6gry(q_{KLlZkQ5U+mqNp(wZtl9dt!|H`mfQYJx~^p#K&U z`c#pB9@8ZWA+!a+6)WKf1(n<=nrw{KB-Ckp_@RRoda~6CxIlGl)ObeaucK~p_H!p) zDkkR&(V7XcoD5MmoLiejtCiiv$1L}y^@p33*kDYzr3XRL8;V}Wx>jTx*ciTf+jaT zIc8jA(zBq`F1UtSdIto#UPWr&AvuxL4yDOw_q6)3(CPxMTuJU16tUpg#DsvgC&y`3 zXKpOllT={&dD!?2>=tO{V>Eib$%NWMWEe>fNJ#v&)HrSK-l-zxs(nR2>uaRwqAy~9 zp6l-2TBnOQE>U39x1jO@b%V2CcGFUAr(B0fom@U$Hc6>*U6zxT4X<(OyP@vy$4ZI% zlF&JKtW8{YQYrrIuKFjq?j|m8aPtk^Ez%w@$@W6+-`#w!Mo_SDW6xhaS7qtUJxe!= z?Xf!Upn!_a!-tWOW$e@NX567G2E3Mkhj*jy(OF)yJCB9CnJquaA!tv3?tJ6eCfLjK_YzLj@JW(yVsffh9&f|A2rN>=LKp z3k<*$6)%dxU0`Sb{SgdkWGe={;f=u!{!A4koU|;73?6>Pp@7wh&m($X&bW&ihM|R| z{&nJ2_dgdKVxnbkWOHj4 z_L<(3f5G_H?ckIOZ$P)*^(t(K*Y=7N-h;FUzC^awM9hF$mf@t=s#bri?~|xU;6*$yC?MLmALx;$)BHy^v9aMy!y?}lP|uu;VLY_ zN~^DKzI!6l{Z3vv@0M_N^X`AiH#@(-Hj59d(SN%67kEZU%O8?XFV@3zH?QF4-|ny1 z#jUHiV)svbwMel_z56wOTAd5K|JYyK#aOeN-3`0-clGku`)j4l5`x@Gdb9U#x9qQ- zTk-Sm-|=FQM%z4?wE21X^z~jW_+@~X!WxX!s(I5t<7cH^Xh!-scP93N&bcZZiaFKab?e|#N38)0!`TBv1}DvjVn zP-O%WcCYaUu?X1BABe;uz;1q|kKS2@BPhJr!NSV->?;j70mHv{TRmry6o8Z`Mom0M|cBphERXI+ejuM%(F#pjh}$<26*?MI|{eDND(HM8iIzxWp4<`xZetQX(bhYHIC z{<33T4^rSdkpQF=Xtat*3C7P`-Zxqd#0MD~nNV4f86|dq*&DY=Wep$U_;Dx*xSK{U zFj02z`+Dmu9ClqatZyb9%9&*~l8^dVR2;$K4fQGZJtKen`+mKVR4}X#pqzH!fv)sU zE6rGtF%x5P#tl_YL0k-pgO7%TwC)jyw_-sORTh3*MWC!o#QlhD!I+c@!P`V3(5-A< zb+YWKsuH+Fck{M-@v~(k+rSJLo#p1->^W2a?H)$fQVIUXR;lKz@And(Uk#E6_`@&G zktF2pVYh!K{$s zI|+=mycWrdqA5_yE(+{uT#TkMk%5qdUkz;yw_MNa9k)#O{<23=UqdGZ2Dm{6Vp6RQ zUXJdCg}0GSZo~}qH+;IEy<@b;Tcsxh!nu$M((!*|N3e!ZlNpP2GK^+w_Z2z`)`Q|_ zQd4cf_mK*MHaafH&rC#l)tCF^DSF+wmj*l_@R&phaqs>cpI!wJbmXDn$5q%YHmdq1 z|F|bTyaK&{%VI_*14mz>UW( zP$1TwmptT*s_=&D{=hw&LVq@|A!9PV!`8cuIqy32(lwA)-H-od%YR_5g>U)q=encE zLt~H2N9Gf7PoOUAh{n(81(;>`$35!JDX)Jav7B7ArRS9e{{hskY_`Y-y2!X=J4vo( zi3PdRXHRyf9&Ir!`b~M?#=zjk%2I5XD&MkK{TywI1fm{_O?49k-sv?YgWr9-%Z!$o zz^zThV?cZ5-TVclb8!%H4uc~DzHHh0-P8Tee{F}uc>~ku0nsuj1+yEChtVIq_uGGc zk%*@-`v4KaD)=V;1~&AL@j>9)3D8IXT@`ooe=Kt{Kjv#^7 z3Idrc3!$y@5h)O50?pv}fgrT@K%r*zKSlpiqQb;QJJ?Q$hnUk4Nr6OpT_cC=4X?Tl z29%3qRS$@Cv+y3hadPvkZUO2=_uqfOU)A|I>G-$Cr+55$-0Z-~)qDhYFB3rKov^?l z`F)BTWxZ>jIn&E5BNRUB(JBQsSbuXlt~>qrYd;LFTUh1Bs?V+X#?Zn z@9`V9RlLZ z}~|=>_Q$AsfKy0zU6hnD{xP zFu+w)X(zyC5PICr)6FtK{GuW{n2^G)b2=Qlho&~(X^v|33UNY|yGWV+C00@y3u#u=%W(MMLM-cW(f!bukbj!mUG7-8kw3#70QxkteF^MHPftSf8 zyY*Sp(yN9n9Mom(Yg>o=Zwfp=9+m8mzRaOR`^FrwM|4^}xWN(#gW(

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      EF~^=z&0v{ul=Wwa2hdG7^-a$H2K0Hj?SJvY^>FI3Clo z?C=6PfC{{)%UEd)_`334Awtf&GCn)oLx!V+!!*CkX@xrtW86OauzUJMH(o{;azt#1 z`c>nFo;qAS(WP4^dFD3$se9V0Te6C=j@x(m>Kk%opjb3?28MF!6nK|@d&U$ReZubO zy;0!;yPd)otwO+&(E`%qVGMgcbY>vwLT}X*!h_fMlDwTMNd;(x?cvgzO*p8cCI!MY zqBM9!p8&l_!EiZ|6q1!@u#IJ~zzB|=@1~(r(*nj48af+QgC|@`U4%&BO`Z}av$nTr zYc52RPkVMHuyHS@FYg1iI%$@`V0N;7;v>|=(uTwYwfdV0zgtq$Aqc}7iNu~FspXlXGWP1q$nZdr!Diy{j`1bXUvjn z6{W3y*v7x0ERIjU#)ZRA8XmJ;rq^vzViZNQRV<3J1g?Za`-0nwPjS?6Arhl%HXf-R ztEFavE|ms0X|{s}Aen0xjZJ}d>b7i!qE%#Vm_pedW2*~4;z)|z5P=3o7N6#S|^A8f?njM}P0Wg2oh= z=~MB;MZ3jvz*-nc*yt99bt7YFVa&(J!R$EPY_!925)FkQf_ZHR8=lsXf%QY&p8dl% z#g@HG=&9(rc?N|+k5aqCOPU_yh@1~J&&y4W6m}x&EnI>KwFO5c`$!;Vd%WEoA&97> zC6XHs4te{pkGn4&Ic=km%H8Zgedr785M)aQC*bpni0$;Osd^Vc1+DjiAkoWi?8;3M zqdD2;tffRIT-B|XL!OD7b|~l$+H}*9e-G?&GVkymfl_7&Wtw>{oaz`Slz11~&g? z)Z%&`UV5oqyEc7`gqh;pI9;pL^>6-vjA!RN>z}>-`n|V*aqr}m-#FklCR}*#xtDL= GxbQ!v_Smlg diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index a55c7dd..df29f33 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -619,6 +619,8 @@ make Type of distribution function used to obtain injected particle velocity: \begin{itemize} \item \textbf{Maxwellian}: Maxwellian distribution of temperature \textbf{T} and mean \textbf{v} times the value of \textbf{n} in the specified direction. + \item \textbf{Half-Maxwellian}: Half-Maxwellian distribution of temperature \textbf{T} and mean \textbf{v} times the value of \textbf{n} in the specified direction. + Only takes into account the positive part of the half-Maxwellian. \item \textbf{Delta}: Dirac's delta distribution function. All particles are injected with velocity \textbf{v} times the value of \textbf{n} in the specified direction. \end{itemize} \item \textbf{T}: Real. From 8d35123508d032ed63c9c53f737e0b77155fb175 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 4 Jul 2023 17:01:02 +0200 Subject: [PATCH 119/203] First Coulomb implementation that works After fixing all possible divisions by zero I was able to find in the Coulomb collision I think that this is a first working implementation of a Coulomb operator based on moments. Still to test a few things, modify the manual but I would say that I'm satisfiyed right now. This operator won't be used that often but maybe improving efficiency is still needed. In the future a binary operator is required to be able to study cases out of Maxwellian equilibrium. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 73 +++++++++++++++------- src/modules/moduleInject.f90 | 2 +- 3 files changed, 51 insertions(+), 26 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index a2ffb7a..d4baedd 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -163,7 +163,7 @@ MODULE moduleMesh2DCyl r2 = self%n2%getCoordinates() self%z = (/r1(1), r2(1)/) self%r = (/r1(2), r2(2)/) - self%weight = SUM(self%r)*5.D-1 + self%weight = r2(2)**2 - r1(2)**2 !Normal vector self%normal = (/ -(self%r(2)-self%r(1)), & self%z(2)-self%z(1) , & diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 03dd356..c5f301a 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -977,6 +977,7 @@ MODULE moduleMesh REAL(8):: l2, l, lW, AW REAL(8):: deltaV(1:3), totalDeltaV_ij, normDeltaV REAL(8):: rnd + REAL(8):: eps = 1.D-10 !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(partTemp) @@ -1011,13 +1012,22 @@ MODULE moduleMesh velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - l2 = coulombMatrix(k)%l2_j/temperature - l = SQRT(l2) + !If cell temperature is too low, skip particle to avoid division by zero + IF (temperature>eps) THEN + l2 = coulombMatrix(k)%l2_j/temperature + l = SQRT(l2) + + ELSE + partTemp => partTemp%next + + CYCLE + + END IF W = partTemp%part%v - velocity normW = NORM2(W) - IF (normW < 1.D-12) THEN - !If relative velocity is too low, skip collision and move to next particle + !If relative velocity is too low, skip collision to avoid division by zero and move to next particle + IF (normW < eps) THEN partTemp => partTemp%next CYCLE @@ -1027,7 +1037,6 @@ MODULE moduleMesh lW = l * normW AW = coulombMatrix(k)%A_i/normW - delta_par = -coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*density*l2*G(lW) delta_par_square = AW*density*G(lW) @@ -1063,8 +1072,8 @@ MODULE moduleMesh END DO + !Do scattering of particles from species_j due to species i IF (i /= j) THEN - !Do scattering of particles from species_j due to species i !Compute background properties of species_i DO n = 1, cell%nNodes node => self%nodes(cellNodes(n))%obj @@ -1072,10 +1081,11 @@ MODULE moduleMesh densityNodes(n) = output%density/n_ref velocityNodes(n,1:3) = output%velocity(1:3)/v_ref temperatureNodes(n) = output%temperature/T_ref - + END DO !Divide total momentum exchanged among all the particles of species j + !TODO: This is a dirty trick to ensure conservation between species normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * & (coulombMatrix(k)%sp_i%weight*coulombMatrix(k)%sp_i%m) / & (coulombMatrix(k)%sp_j%weight*coulombMatrix(k)%sp_j%m) @@ -1087,26 +1097,35 @@ MODULE moduleMesh velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - l2 = coulombMatrix(k)%l2_i/temperature - l = SQRT(l2) - - W = partTemp%part%v - velocity - normW = NORM2(W) - IF (normW < 1.D-12) THEN - !If relative velocity is too low, skip collision and move to next particle + !If cell temperature is too low, skip particle to avoid division by zero + IF (temperature>eps) THEN + l2 = coulombMatrix(k)%l2_i/temperature + l = SQRT(l2) + + ELSE partTemp => partTemp%next CYCLE END IF - + + W = partTemp%part%v - velocity + normW = NORM2(W) + !If relative velocity is too low, skip collision and move to next particle + IF (normW < eps) THEN + partTemp => partTemp%next + + CYCLE + + END IF + lW = l * normW AW = coulombMatrix(k)%A_j/normW - + delta_par = -coulombMatrix(k)%A_j*coulombMatrix(k)%one_plus_massRatio_ji*density*l2*G(lW) - + delta_par_square = AW*density*G(lW) - + delta_per_square = AW*density*H(lW) dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) @@ -1114,7 +1133,13 @@ MODULE moduleMesh !Normalize with average exchange per particle !TODO: This is a dirty trick to ensure conservation between species - dW = normDeltaV*dW/NORM2(dW) + IF (NORM2(dW) > eps) THEN + dW = normDeltaV*dW/NORM2(dW) + + ELSE + dW = 0.D0 + + END IF !System of reference for the velocity change !First one is parallel to the relative velocity @@ -1127,24 +1152,24 @@ MODULE moduleMesh !Third one is perpendicular to the other two e3 = crossProduct(e1, e2) e3 = normalize(e3) - + !Random number for direction rnd = PI2*random() - + deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) !Change particle velocity partTemp%part%v = partTemp%part%v + deltaV - + partTemp => partTemp%next - + END DO END IF END DO - DEALLOCATE(densityNodes, velocityNodes, temperatureNodes) + DEALLOCATE(densityNodes, velocityNodes, temperatureNodes, cellNodes) END DO !$OMP END DO diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index e551f0f..4e57083 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -97,7 +97,7 @@ MODULE moduleInject self%id = i self%vMod = v / v_ref - self%n = n / NORM2(n) + self%n = n / NORM2(n) self%T = T / T_ref self%species => species(sp)%obj tauInject = tau(self%species%n) From a26dc04051ec370127be3218473dc45ea1918657 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 7 Jul 2023 16:36:31 +0200 Subject: [PATCH 120/203] I hate Coulomb and his Scattering I found no way to ensure conservation in the linear Coulomb operator. Thus, now two collisions have to be declared if sp_i /= sp_j: collision ij and collision ji. This does not conserve energy so please use under your own risk, like everything else. Still, I think something is wrong with this implementation and I'm really tired. --- src/modules/mesh/moduleMesh.f90 | 101 +------------------------------- src/modules/moduleCoulomb.f90 | 9 +-- 2 files changed, 5 insertions(+), 105 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index c5f301a..b8d7501 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -975,7 +975,7 @@ MODULE moduleMesh REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square REAL(8):: W(3), dW(2), normW !Relative velocity between particle and species and its increment REAL(8):: l2, l, lW, AW - REAL(8):: deltaV(1:3), totalDeltaV_ij, normDeltaV + REAL(8):: deltaV(1:3) REAL(8):: rnd REAL(8):: eps = 1.D-10 @@ -1005,7 +1005,6 @@ MODULE moduleMesh END DO !Loop over particles of species_i - totalDeltaV_ij = 0.D0 partTemp => cell%listPart_in(i)%head DO WHILE(ASSOCIATED(partTemp)) density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) @@ -1026,6 +1025,7 @@ MODULE moduleMesh W = partTemp%part%v - velocity normW = NORM2(W) + !If relative velocity is too low, skip collision to avoid division by zero and move to next particle IF (normW < eps) THEN partTemp => partTemp%next @@ -1063,8 +1063,6 @@ MODULE moduleMesh deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) - totalDeltaV_ij = totalDeltaV_ij + NORM2(deltaV) - !Change particle velocity partTemp%part%v = partTemp%part%v + deltaV @@ -1072,101 +1070,6 @@ MODULE moduleMesh END DO - !Do scattering of particles from species_j due to species i - IF (i /= j) THEN - !Compute background properties of species_i - DO n = 1, cell%nNodes - node => self%nodes(cellNodes(n))%obj - CALL calculateOutput(node%output(i), output, node%v, coulombMatrix(k)%sp_i) - densityNodes(n) = output%density/n_ref - velocityNodes(n,1:3) = output%velocity(1:3)/v_ref - temperatureNodes(n) = output%temperature/T_ref - - END DO - - !Divide total momentum exchanged among all the particles of species j - !TODO: This is a dirty trick to ensure conservation between species - normDeltaV = totalDeltaV_ij / REAL(cell%listPart_in(j)%amount) * & - (coulombMatrix(k)%sp_i%weight*coulombMatrix(k)%sp_i%m) / & - (coulombMatrix(k)%sp_j%weight*coulombMatrix(k)%sp_j%m) - - !Loop over particles of species_j - partTemp => cell%listPart_in(j)%head - DO WHILE(ASSOCIATED(partTemp)) - density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) - velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) - temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - - !If cell temperature is too low, skip particle to avoid division by zero - IF (temperature>eps) THEN - l2 = coulombMatrix(k)%l2_i/temperature - l = SQRT(l2) - - ELSE - partTemp => partTemp%next - - CYCLE - - END IF - - W = partTemp%part%v - velocity - normW = NORM2(W) - !If relative velocity is too low, skip collision and move to next particle - IF (normW < eps) THEN - partTemp => partTemp%next - - CYCLE - - END IF - - lW = l * normW - AW = coulombMatrix(k)%A_j/normW - - delta_par = -coulombMatrix(k)%A_j*coulombMatrix(k)%one_plus_massRatio_ji*density*l2*G(lW) - - delta_par_square = AW*density*G(lW) - - delta_per_square = AW*density*H(lW) - - dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) - dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) - - !Normalize with average exchange per particle - !TODO: This is a dirty trick to ensure conservation between species - IF (NORM2(dW) > eps) THEN - dW = normDeltaV*dW/NORM2(dW) - - ELSE - dW = 0.D0 - - END IF - - !System of reference for the velocity change - !First one is parallel to the relative velocity - e1 = normalize(W) - !Second one is perpendicular to it - e2(1) = -e1(2) - e2(2) = e1(1) - e2(3) = 0.D0 - e2 = normalize(e2) - !Third one is perpendicular to the other two - e3 = crossProduct(e1, e2) - e3 = normalize(e3) - - !Random number for direction - rnd = PI2*random() - - deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) - - !Change particle velocity - partTemp%part%v = partTemp%part%v + deltaV - - partTemp => partTemp%next - - END DO - - END IF - END DO DEALLOCATE(densityNodes, velocityNodes, temperatureNodes, cellNodes) diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index ab931e0..683e626 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -8,10 +8,10 @@ MODULE moduleCoulomb TYPE:: interactionsCoulomb CLASS(speciesGeneric), POINTER:: sp_i CLASS(speciesGeneric), POINTER:: sp_j - REAL(8):: one_plus_massRatio_ij, one_plus_massRatio_ji + REAL(8):: one_plus_massRatio_ij REAL(8):: lnCoulomb !This can be done a function in the future - REAL(8):: A_i, A_j - REAL(8):: l2_j, l2_i + REAL(8):: A_i + REAL(8):: l2_j CONTAINS PROCEDURE, PASS:: init => initInteractionCoulomb @@ -60,7 +60,6 @@ MODULE moduleCoulomb self%sp_j => species(j)%obj self%one_plus_massRatio_ij = 1.D0 + (self%sp_i%weight*self%sp_i%m)/(self%sp_j%weight*self%sp_j%m) - self%one_plus_massRatio_ji = 1.D0 + (self%sp_j%weight*self%sp_j%m)/(self%sp_i%weight*self%sp_i%m) SELECT TYPE(sp => self%sp_i) TYPE IS (speciesCharged) @@ -85,10 +84,8 @@ MODULE moduleCoulomb scaleFactor = (n_ref * qe**4) / (eps_0**2 * m_ref**2 * v_ref**3) * ti_ref self%A_i = 2.D0*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 * scaleFactor - self%A_j = 2.D0*Z_j**2*Z_i**2*self%lnCoulomb / self%sp_j%m**2 * scaleFactor self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent - self%l2_i = self%sp_i%m / 2.D0 !Missing temperature because it's cell dependent END SUBROUTINE initInteractionCoulomb From d75af4bda72d79f2903dd632fc15d850f09be8ef Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 11 Jul 2023 07:51:49 +0200 Subject: [PATCH 121/203] Trying to implement Lemos Coulomb Scatering I was having tones of issues with the previous implementation. I think the problem was the velocity vector and how it was returning to the normal reference frame. I hope this new implementation works better. --- src/modules/mesh/moduleMesh.f90 | 49 ++++++++++++++------------------- 1 file changed, 20 insertions(+), 29 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index b8d7501..4495355 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -973,9 +973,12 @@ MODULE moduleMesh REAL(8):: density, velocity(1:3), temperature!values at particle position REAL(8), DIMENSION(1:3):: e1, e2, e3 REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square - REAL(8):: W(3), dW(2), normW !Relative velocity between particle and species and its increment - REAL(8):: l2, l, lW, AW - REAL(8):: deltaV(1:3) + REAL(8):: normW + REAL(8):: l2, l, lW, AW, AW2, AW3 + REAL(8):: deltaW, deltaThe, deltaPhi + REAL(8):: cosDeltaPhi, sinDeltaPhi + REAL(8):: cosDeltaThe, sinDeltaThe + REAL(8):: deltaV(1:3) !Relative particle velocity increment REAL(8):: rnd REAL(8):: eps = 1.D-10 @@ -1023,8 +1026,7 @@ MODULE moduleMesh END IF - W = partTemp%part%v - velocity - normW = NORM2(W) + normW = NORM2(partTemp%part%v - velocity) !If relative velocity is too low, skip collision to avoid division by zero and move to next particle IF (normW < eps) THEN @@ -1035,33 +1037,22 @@ MODULE moduleMesh END IF lW = l * normW - AW = coulombMatrix(k)%A_i/normW + AW = coulombMatrix(k)%A_i/normW + AW2 = coulombMatrix(k)%A_i/normW**2 / 2.D0 + AW3 = coulombMatrix(k)%A_i/normW**3 / 2.D0 - delta_par = -coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*density*l2*G(lW) + deltaW = (-coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*l2*G(lW) - AW2*G(lW) + AW2*ERF(lw)) * tauMin + & + SQRT(AW * G(lW) * tauMin) * ABS(randomMaxwellian()) + deltaThe = SQRT(2.D0 * AW3 * H(lW) * tauMin)*ABS(randomMaxwellian()) + deltaPhi = PI2 * random() - delta_par_square = AW*density*G(lW) + cosDeltaThe = COS(deltaThe) + sinDeltaThe = SIN(deltaThe) + cosDeltaPhi = COS(deltaPhi) + sinDeltaPhi = SIN(deltaPhi) - delta_per_square = AW*density*H(lW) - - dW(1) = delta_par*tauMin + randomMaxwellian()*SQRT(delta_par_square*tauMin) - dW(2) = ABS(randomMaxwellian()*SQRT(delta_per_square*tauMin)) - - !System of reference for the velocity change - !First one is parallel to the relative velocity - e1 = normalize(W) - !Second one is perpendicular to it - e2(1) = -e1(2) - e2(2) = e1(1) - e2(3) = 0.D0 - e2 = normalize(e2) - !Third one is perpendicular to the other two - e3 = crossProduct(e1, e2) - e3 = normalize(e3) - - !Random number for direction - rnd = PI2*random() - - deltaV = dW(1)*e1 + dW(2)*(COS(rnd)*e2 + SIN(rnd)*e3) + !Rotate velocity frame assuming theta = phi = 0 + deltaV = (normW + deltaW) * (/ sinDeltaThe * cosDeltaPhi, sinDeltaThe * sinDeltaPhi, cosDeltaPhi /) !Change particle velocity partTemp%part%v = partTemp%part%v + deltaV From c45ffa5380b31f95631ff8030c513acf0c7d2c0f Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 11 Jul 2023 09:58:50 +0200 Subject: [PATCH 122/203] Dear various gods, finally... I had to go back to sherlock2008montecarlo to properly understand the change in frame of reference and how to translate that into the code. The language there is clear and understandable for a dumb person like me. Now I have a Coulomb linear operator that at least works. However, still not fully 100% conservative, need to fix this with a correction for intra-species collisions. I skip gym today because I was unable to focus on other things than this. --- src/modules/mesh/moduleMesh.f90 | 65 +++++++++++++++++++-------------- src/modules/moduleCoulomb.f90 | 2 +- 2 files changed, 39 insertions(+), 28 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 4495355..a0ba9aa 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -971,15 +971,16 @@ MODULE moduleMesh TYPE(outputFormat):: output REAL(8), ALLOCATABLE:: densityNodes(:), velocityNodes(:,:), temperatureNodes(:) !values in node REAL(8):: density, velocity(1:3), temperature!values at particle position - REAL(8), DIMENSION(1:3):: e1, e2, e3 - REAL(8):: delta_par, delta_par_square, delta_per, delta_per_square - REAL(8):: normW - REAL(8):: l2, l, lW, AW, AW2, AW3 - REAL(8):: deltaW, deltaThe, deltaPhi - REAL(8):: cosDeltaPhi, sinDeltaPhi - REAL(8):: cosDeltaThe, sinDeltaThe - REAL(8):: deltaV(1:3) !Relative particle velocity increment - REAL(8):: rnd + REAL(8):: C(1:3), W(1:3) !relative velocity and velocity in the relative frame of reference + REAL(8):: l, lW, l2 + REAL(8):: normC, normW + REAL(8):: theta, phi !angles between w and c + REAL(8):: cosThe, sinThe + REAL(8):: cosPhi, sinPhi + REAL(8):: rotation(1:3,1:3) !Rotation matrix to go back to laboratory frame + REAL(8):: A, AW + REAL(8):: deltaW_par, deltaW_par_square, deltaW_per_square !Increments of W + REAL(8):: theta_per !Random angle for perpendicular direction REAL(8):: eps = 1.D-10 @@ -1026,36 +1027,46 @@ MODULE moduleMesh END IF - normW = NORM2(partTemp%part%v - velocity) + C = partTemp%part%v - velocity + normC = NORM2(C) !If relative velocity is too low, skip collision to avoid division by zero and move to next particle - IF (normW < eps) THEN + IF (normC < eps) THEN partTemp => partTemp%next CYCLE END IF + + + theta = ACOS(C(3) / normC) + cosThe = COS(theta) + sinThe = SIN(theta) + phi = SIGN(1.D0, C(1)) * ACOS(C(1) / SQRT(C(1)**2 + C(2)**2)) + cosPhi = COS(phi) + sinPhi = SIN(phi) + + rotation(1, 1:3) = (/ cosThe*cosPhi, -sinPhi, sinThe*cosPhi /) + rotation(2, 1:3) = (/ cosThe*sinPhi, cosPhi, sinThe*sinPhi /) + rotation(3, 1:3) = (/-sinThe, 0.D0, cosThe /) - lW = l * normW - AW = coulombMatrix(k)%A_i/normW - AW2 = coulombMatrix(k)%A_i/normW**2 / 2.D0 - AW3 = coulombMatrix(k)%A_i/normW**3 / 2.D0 + !W at start is = (0, 0, normC), so normW = normC + lW = l * normC + A = coulombMatrix(k)%A_i*density + AW = A / normC - deltaW = (-coulombMatrix(k)%A_i*coulombMatrix(k)%one_plus_massRatio_ij*l2*G(lW) - AW2*G(lW) + AW2*ERF(lw)) * tauMin + & - SQRT(AW * G(lW) * tauMin) * ABS(randomMaxwellian()) - deltaThe = SQRT(2.D0 * AW3 * H(lW) * tauMin)*ABS(randomMaxwellian()) - deltaPhi = PI2 * random() + deltaW_par = - A * coulombMatrix(k)%one_plus_massRatio_ij * l2 * G(lW) * tauMin + deltaW_par_square = SQRT(AW * G(lW) * tauMin)*randomMaxwellian() + deltaW_per_square = SQRT(AW * H(lW) * tauMin)*randomMaxwellian() - cosDeltaThe = COS(deltaThe) - sinDeltaThe = SIN(deltaThe) - cosDeltaPhi = COS(deltaPhi) - sinDeltaPhi = SIN(deltaPhi) - - !Rotate velocity frame assuming theta = phi = 0 - deltaV = (normW + deltaW) * (/ sinDeltaThe * cosDeltaPhi, sinDeltaThe * sinDeltaPhi, cosDeltaPhi /) + theta_per = PI2*random() + !Change W + W(1) = deltaW_per_square * COS(theta_per) + W(2) = deltaW_per_square * SIN(theta_per) + W(3) = normC + deltaW_par + deltaW_par_square !Change particle velocity - partTemp%part%v = partTemp%part%v + deltaV + partTemp%part%v = velocity + MATMUL(rotation, W) partTemp => partTemp%next diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 683e626..7bd3f72 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -83,7 +83,7 @@ MODULE moduleCoulomb scaleFactor = (n_ref * qe**4) / (eps_0**2 * m_ref**2 * v_ref**3) * ti_ref - self%A_i = 2.D0*Z_i**2*Z_j**2*self%lnCoulomb / self%sp_i%m**2 * scaleFactor + self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%m**2) * scaleFactor self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent From 63fc2842be64cc2cd9becf480170bdfabcfd8026 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 11 Jul 2023 11:22:19 +0200 Subject: [PATCH 123/203] Small changes Just some small changes to the code to improve its quality. Nothing regarding conservation was done yet. --- src/modules/mesh/moduleMesh.f90 | 25 ++++++++++++++++++------- 1 file changed, 18 insertions(+), 7 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index a0ba9aa..0f1260e 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -971,9 +971,10 @@ MODULE moduleMesh TYPE(outputFormat):: output REAL(8), ALLOCATABLE:: densityNodes(:), velocityNodes(:,:), temperatureNodes(:) !values in node REAL(8):: density, velocity(1:3), temperature!values at particle position - REAL(8):: C(1:3), W(1:3) !relative velocity and velocity in the relative frame of reference + REAL(8):: C(1:3), C_per, W(1:3) !relative velocity and velocity in the relative frame of reference REAL(8):: l, lW, l2 - REAL(8):: normC, normW + REAL(8):: GlW, HlW + REAL(8):: normC REAL(8):: theta, phi !angles between w and c REAL(8):: cosThe, sinThe REAL(8):: cosPhi, sinPhi @@ -1038,11 +1039,17 @@ MODULE moduleMesh END IF - theta = ACOS(C(3) / normC) cosThe = COS(theta) sinThe = SIN(theta) - phi = SIGN(1.D0, C(1)) * ACOS(C(1) / SQRT(C(1)**2 + C(2)**2)) + C_per = SQRT(C(1)**2 + C(2)**2) + IF (C_per > eps) THEN + phi = SIGN(1.D0, C(1)) * ACOS(C(1) / C_per) + + ELSE + phi = 0.D0 + + END IF cosPhi = COS(phi) sinPhi = SIN(phi) @@ -1052,14 +1059,18 @@ MODULE moduleMesh !W at start is = (0, 0, normC), so normW = normC lW = l * normC + GlW = G(lW) + HlW = H(lW) A = coulombMatrix(k)%A_i*density AW = A / normC - deltaW_par = - A * coulombMatrix(k)%one_plus_massRatio_ij * l2 * G(lW) * tauMin - deltaW_par_square = SQRT(AW * G(lW) * tauMin)*randomMaxwellian() - deltaW_per_square = SQRT(AW * H(lW) * tauMin)*randomMaxwellian() + !Calculate changes in W due to collision process + deltaW_par = - A * coulombMatrix(k)%one_plus_massRatio_ij * l2 * GlW * tauMin + deltaW_par_square = SQRT(AW * GlW * tauMin)*randomMaxwellian() + deltaW_per_square = SQRT(AW * HlW * tauMin)*randomMaxwellian() theta_per = PI2*random() + !Change W W(1) = deltaW_per_square * COS(theta_per) W(2) = deltaW_per_square * SIN(theta_per) From f63e34e2664e97a7a64bd397546b2eca711a3375 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 11 Jul 2023 18:55:20 +0200 Subject: [PATCH 124/203] Not fully conservative but works The code is still not fully conservative in intra-species collisions (small error) but at least now is working. I have to test species with different weight. I have to implement a fully conservation for intra-species. --- src/modules/mesh/moduleMesh.f90 | 6 ++++-- src/modules/moduleCoulomb.f90 | 4 +++- 2 files changed, 7 insertions(+), 3 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 0f1260e..3dea7c0 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -1055,7 +1055,7 @@ MODULE moduleMesh rotation(1, 1:3) = (/ cosThe*cosPhi, -sinPhi, sinThe*cosPhi /) rotation(2, 1:3) = (/ cosThe*sinPhi, cosPhi, sinThe*sinPhi /) - rotation(3, 1:3) = (/-sinThe, 0.D0, cosThe /) + rotation(3, 1:3) = (/-sinThe, 0.D0, cosThe /) !W at start is = (0, 0, normC), so normW = normC lW = l * normC @@ -1069,6 +1069,7 @@ MODULE moduleMesh deltaW_par_square = SQRT(AW * GlW * tauMin)*randomMaxwellian() deltaW_per_square = SQRT(AW * HlW * tauMin)*randomMaxwellian() + !Random angle to distribute perpendicular change in velocity theta_per = PI2*random() !Change W @@ -1076,9 +1077,10 @@ MODULE moduleMesh W(2) = deltaW_per_square * SIN(theta_per) W(3) = normC + deltaW_par + deltaW_par_square - !Change particle velocity + !Update particle velocity and return to laboratory frame partTemp%part%v = velocity + MATMUL(rotation, W) + !Move to the next particle in the list partTemp => partTemp%next END DO diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 7bd3f72..fe2a2f6 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -59,8 +59,10 @@ MODULE moduleCoulomb self%sp_i => species(i)%obj self%sp_j => species(j)%obj - self%one_plus_massRatio_ij = 1.D0 + (self%sp_i%weight*self%sp_i%m)/(self%sp_j%weight*self%sp_j%m) + self%one_plus_massRatio_ij = 1.D0 + self%sp_i%m/self%sp_j%m + Z_i = 0.D0 + Z_j = 0.D0 SELECT TYPE(sp => self%sp_i) TYPE IS (speciesCharged) Z_i = sp%q From a891360b7a5a37ce0c0a6fc5bba88a6e06bc5d19 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 12 Jul 2023 11:38:12 +0200 Subject: [PATCH 125/203] Still unsure, but things fixed There was an issue with the calculation of theta and phi for the rotation from W to C. This was causing some velocities not being correct. Now the angles are properly computed. Still unsure about the e-i collisions as they seem to be quite small. Probably a numerical issue with the mass ratios still exists. --- src/modules/mesh/moduleMesh.f90 | 31 +++++++++++++------------------ src/modules/moduleCoulomb.f90 | 4 ++-- 2 files changed, 15 insertions(+), 20 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 3dea7c0..234ae3c 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -982,7 +982,7 @@ MODULE moduleMesh REAL(8):: A, AW REAL(8):: deltaW_par, deltaW_par_square, deltaW_per_square !Increments of W REAL(8):: theta_per !Random angle for perpendicular direction - REAL(8):: eps = 1.D-10 + REAL(8):: eps = 1.D-12 !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(partTemp) @@ -1039,24 +1039,19 @@ MODULE moduleMesh END IF - theta = ACOS(C(3) / normC) - cosThe = COS(theta) - sinThe = SIN(theta) - C_per = SQRT(C(1)**2 + C(2)**2) - IF (C_per > eps) THEN - phi = SIGN(1.D0, C(1)) * ACOS(C(1) / C_per) + !C_3 = z; C_1, C2 = x, y (per) + C_per = NORM2(C(1:2)) + cosPhi = C(1) / C_per + sinPhi = C(2) / C_per + cosThe = C(3) / normC + sinThe = C_per / normC - ELSE - phi = 0.D0 + !Rotation matrix to go from W to C + rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column + -sinPhi, cosPhi, 0.D0, & !Second column + sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column + (/ 3, 3 /)) - END IF - cosPhi = COS(phi) - sinPhi = SIN(phi) - - rotation(1, 1:3) = (/ cosThe*cosPhi, -sinPhi, sinThe*cosPhi /) - rotation(2, 1:3) = (/ cosThe*sinPhi, cosPhi, sinThe*sinPhi /) - rotation(3, 1:3) = (/-sinThe, 0.D0, cosThe /) - !W at start is = (0, 0, normC), so normW = normC lW = l * normC GlW = G(lW) @@ -1078,7 +1073,7 @@ MODULE moduleMesh W(3) = normC + deltaW_par + deltaW_par_square !Update particle velocity and return to laboratory frame - partTemp%part%v = velocity + MATMUL(rotation, W) + partTemp%part%v = MATMUL(rotation, W) + velocity !Move to the next particle in the list partTemp => partTemp%next diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index fe2a2f6..653eaa4 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -83,9 +83,9 @@ MODULE moduleCoulomb self%lnCoulomb = 10.0 !Make this function dependent - scaleFactor = (n_ref * qe**4) / (eps_0**2 * m_ref**2 * v_ref**3) * ti_ref + scaleFactor = (n_ref * qe**4 * ti_ref) / (eps_0**2 * m_ref**2 * v_ref**3) - self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%m**2) * scaleFactor + self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%m**2) * scaleFactor !Missing density because it's cell dependent self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent From 28b2bf206a803909d04ce4b4d70f718c2ebe751f Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 12 Jul 2023 14:21:29 +0200 Subject: [PATCH 126/203] Added the possibility to have sub-steps Now per each Coulomb collision process there is the possibility to do sub-steps. This helps in improving accuracy without reducing the time step of the problem. --- src/modules/init/moduleInput.f90 | 8 +++- src/modules/mesh/moduleMesh.f90 | 82 ++++++++++++++++---------------- src/modules/moduleCoulomb.f90 | 8 +++- 3 files changed, 55 insertions(+), 43 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 9891806..e3927e3 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -637,6 +637,7 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: electron INTEGER:: e CLASS(meshCell), POINTER:: cell + INTEGER:: subSteps !Firstly, check if the object 'interactions' exists CALL config%info('interactions', found) @@ -770,8 +771,13 @@ MODULE moduleInput pt_i = speciesName2Index(species_i) CALL config%get(object // '.species_j', species_j, found) pt_j = speciesName2Index(species_j) + CALL config%get(object // '.subSteps', subSteps, found) + IF (.NOT. found) THEN + subSteps = 1 - CALL coulombMatrix(i)%init(pt_i, pt_j) + END IF + + CALL coulombMatrix(i)%init(pt_i, pt_j, subSteps) END DO diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 234ae3c..81f53c3 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -961,10 +961,12 @@ MODULE moduleMesh CLASS(meshParticles), INTENT(in), TARGET:: self CLASS(meshCell), POINTER:: cell + TYPE(interactionsCoulomb):: pair INTEGER:: e INTEGER:: k INTEGER:: i, j INTEGER:: n + INTEGER:: t TYPE(lNode), POINTER:: partTemp INTEGER(8), ALLOCATABLE:: cellNodes(:) CLASS(meshNode), POINTER:: node @@ -995,14 +997,15 @@ MODULE moduleMesh temperatureNodes(1:cell%nNodes)) DO k=1, nCoulombPairs - i = coulombMatrix(k)%sp_i%n - j = coulombMatrix(k)%sp_j%n + pair = coulombMatrix(k) + i = pair%sp_i%n + j = pair%sp_j%n !Do scattering of particles from species_i due to species j !Compute background properties of species_j DO n = 1, cell%nNodes node => self%nodes(cellNodes(n))%obj - CALL calculateOutput(node%output(j), output, node%v, coulombMatrix(k)%sp_j) + CALL calculateOutput(node%output(j), output, node%v, pair%sp_j) densityNodes(n) = output%density/n_ref velocityNodes(n,1:3) = output%velocity(1:3)/v_ref temperatureNodes(n) = output%temperature/T_ref @@ -1018,7 +1021,7 @@ MODULE moduleMesh !If cell temperature is too low, skip particle to avoid division by zero IF (temperature>eps) THEN - l2 = coulombMatrix(k)%l2_j/temperature + l2 = pair%l2_j/temperature l = SQRT(l2) ELSE @@ -1028,52 +1031,49 @@ MODULE moduleMesh END IF - C = partTemp%part%v - velocity - normC = NORM2(C) + A = pair%A_i*density - !If relative velocity is too low, skip collision to avoid division by zero and move to next particle - IF (normC < eps) THEN - partTemp => partTemp%next + !Do the required substeps + DO t = 1, pair%nSubSteps + C = partTemp%part%v - velocity + normC = NORM2(C) - CYCLE + !C_3 = z; C_1, C2 = x, y (per) + C_per = NORM2(C(1:2)) + cosPhi = C(1) / C_per + sinPhi = C(2) / C_per + cosThe = C(3) / normC + sinThe = C_per / normC - END IF + !Rotation matrix to go from W to C + rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column + -sinPhi, cosPhi, 0.D0, & !Second column + sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column + (/ 3, 3 /)) - !C_3 = z; C_1, C2 = x, y (per) - C_per = NORM2(C(1:2)) - cosPhi = C(1) / C_per - sinPhi = C(2) / C_per - cosThe = C(3) / normC - sinThe = C_per / normC + !W at start is = (0, 0, normC), so normW = normC + lW = l * normC + GlW = G(lW) + HlW = H(lW) + AW = A / normC - !Rotation matrix to go from W to C - rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column - -sinPhi, cosPhi, 0.D0, & !Second column - sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column - (/ 3, 3 /)) + !Calculate changes in W due to collision process + deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * pair%tauSub + deltaW_par_square = SQRT(AW * GlW * pair%tauSub)*randomMaxwellian() + deltaW_per_square = SQRT(AW * HlW * pair%tauSub)*randomMaxwellian() - !W at start is = (0, 0, normC), so normW = normC - lW = l * normC - GlW = G(lW) - HlW = H(lW) - A = coulombMatrix(k)%A_i*density - AW = A / normC + !Random angle to distribute perpendicular change in velocity + theta_per = PI2*random() - !Calculate changes in W due to collision process - deltaW_par = - A * coulombMatrix(k)%one_plus_massRatio_ij * l2 * GlW * tauMin - deltaW_par_square = SQRT(AW * GlW * tauMin)*randomMaxwellian() - deltaW_per_square = SQRT(AW * HlW * tauMin)*randomMaxwellian() + !Change W + W(1) = deltaW_per_square * COS(theta_per) + W(2) = deltaW_per_square * SIN(theta_per) + W(3) = normC + deltaW_par + deltaW_par_square - !Random angle to distribute perpendicular change in velocity - theta_per = PI2*random() + !Update particle velocity and return to laboratory frame + partTemp%part%v = MATMUL(rotation, W) + velocity - !Change W - W(1) = deltaW_per_square * COS(theta_per) - W(2) = deltaW_per_square * SIN(theta_per) - W(3) = normC + deltaW_par + deltaW_par_square - - !Update particle velocity and return to laboratory frame - partTemp%part%v = MATMUL(rotation, W) + velocity + END DO !Move to the next particle in the list partTemp => partTemp%next diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 653eaa4..40e85c2 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -12,6 +12,8 @@ MODULE moduleCoulomb REAL(8):: lnCoulomb !This can be done a function in the future REAL(8):: A_i REAL(8):: l2_j + REAL(8):: tauSub + INTEGER:: nSubSteps CONTAINS PROCEDURE, PASS:: init => initInteractionCoulomb @@ -44,7 +46,7 @@ MODULE moduleCoulomb END FUNCTION H - SUBROUTINE initInteractionCoulomb(self, i, j) + SUBROUTINE initInteractionCoulomb(self, i, j, subSteps) USE moduleSpecies USE moduleErrors USE moduleConstParam @@ -52,10 +54,14 @@ MODULE moduleCoulomb IMPLICIT NONE CLASS(interactionsCoulomb), INTENT(out):: self + INTEGER, INTENT(in):: subSteps INTEGER, INTENT(in):: i, j REAL(8):: Z_i, Z_j REAL(8):: scaleFactor + self%nSubSteps = subSteps + self%tauSub = tauMin / REAL(self%nSubSteps) + self%sp_i => species(i)%obj self%sp_j => species(j)%obj From c3a6f77ffc36f2ca5249b3a2c1290f10d30c409c Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 12 Jul 2023 15:17:26 +0200 Subject: [PATCH 127/203] Combining ij - ji collisions In an attempt to make the operator fully conservarive I have combined ij and ji collisions (when i/=j). Now the matter is to find a way that makes this conserve momentum and energy for intraspecies. --- src/modules/mesh/moduleMesh.f90 | 94 +++++++++++++++++++++++++++++++++ src/modules/moduleCoulomb.f90 | 4 ++ 2 files changed, 98 insertions(+) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 81f53c3..3a65809 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -967,6 +967,7 @@ MODULE moduleMesh INTEGER:: i, j INTEGER:: n INTEGER:: t + INTEGER:: p TYPE(lNode), POINTER:: partTemp INTEGER(8), ALLOCATABLE:: cellNodes(:) CLASS(meshNode), POINTER:: node @@ -985,6 +986,8 @@ MODULE moduleMesh REAL(8):: deltaW_par, deltaW_par_square, deltaW_per_square !Increments of W REAL(8):: theta_per !Random angle for perpendicular direction REAL(8):: eps = 1.D-12 + REAL(8):: preV(1:3), totalP_ij(1:3), totalP_ji(1:3) + REAL(8), ALLOCATABLE:: deltaV_ji(:,:) !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(partTemp) @@ -1012,6 +1015,7 @@ MODULE moduleMesh END DO + totalP_ij = 0.D0 !Loop over particles of species_i partTemp => cell%listPart_in(i)%head DO WHILE(ASSOCIATED(partTemp)) @@ -1071,7 +1075,9 @@ MODULE moduleMesh W(3) = normC + deltaW_par + deltaW_par_square !Update particle velocity and return to laboratory frame + preV = partTemp%part%v partTemp%part%v = MATMUL(rotation, W) + velocity + totalP_ij = totalP_ij + pair%sp_i%m*(partTemp%part%v - preV) END DO @@ -1080,6 +1086,94 @@ MODULE moduleMesh END DO + !Do corresponding collisions + IF (i /= j) THEN + !Do scattering of particles from species_j due to species i + !Compute background properties of species_i + DO n = 1, cell%nNodes + node => self%nodes(cellNodes(n))%obj + CALL calculateOutput(node%output(i), output, node%v, pair%sp_i) + densityNodes(n) = output%density/n_ref + velocityNodes(n,1:3) = output%velocity(1:3)/v_ref + temperatureNodes(n) = output%temperature/T_ref + + END DO + + totalP_ji = 0.D0 + ALLOCATE(deltaV_ji(1:cell%listPart_in(j)%amount,1:3)) + !Loop over particles of species_j + partTemp => cell%listPart_in(j)%head + p = 1 + DO WHILE(ASSOCIATED(partTemp)) + density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) + velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) + temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) + + !If cell temperature is too low, skip particle to avoid division by zero + IF (temperature>eps) THEN + l2 = pair%l2_i/temperature + l = SQRT(l2) + + ELSE + partTemp => partTemp%next + + CYCLE + + END IF + A = pair%A_j*density + + !Do the required substeps + DO t = 1, pair%nSubSteps + C = partTemp%part%v - velocity + normC = NORM2(C) + + !C_3 = z; C_1, C2 = x, y (per) + C_per = NORM2(C(1:2)) + cosPhi = C(1) / C_per + sinPhi = C(2) / C_per + cosThe = C(3) / normC + sinThe = C_per / normC + + !Rotation matrix to go from W to C + rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column + -sinPhi, cosPhi, 0.D0, & !Second column + sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column + (/ 3, 3 /)) + + !W at start is = (0, 0, normC), so normW = normC + lW = l * normC + GlW = G(lW) + HlW = H(lW) + AW = A / normC + + !Calculate changes in W due to collision process + deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * pair%tauSub + deltaW_par_square = SQRT(AW * GlW * pair%tauSub)*randomMaxwellian() + deltaW_per_square = SQRT(AW * HlW * pair%tauSub)*randomMaxwellian() + + !Random angle to distribute perpendicular change in velocity + theta_per = PI2*random() + + !Change W + W(1) = deltaW_per_square * COS(theta_per) + W(2) = deltaW_per_square * SIN(theta_per) + W(3) = normC + deltaW_par + deltaW_par_square + + preV = partTemp%part%v + partTemp%part%v = MATMUL(rotation, W) + velocity + totalP_ji = totalP_ji + pair%sp_j%m*(partTemp%part%v - preV) + + END DO + + !Move to the next particle in the list + partTemp => partTemp%next + + END DO + + END IF + + print *, k, NORM2(totalP_ij), NORM2(totalP_ji) + END DO DEALLOCATE(densityNodes, velocityNodes, temperatureNodes, cellNodes) diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 40e85c2..5faa277 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -11,7 +11,9 @@ MODULE moduleCoulomb REAL(8):: one_plus_massRatio_ij REAL(8):: lnCoulomb !This can be done a function in the future REAL(8):: A_i + REAL(8):: A_j REAL(8):: l2_j + REAL(8):: l2_i REAL(8):: tauSub INTEGER:: nSubSteps CONTAINS @@ -92,8 +94,10 @@ MODULE moduleCoulomb scaleFactor = (n_ref * qe**4 * ti_ref) / (eps_0**2 * m_ref**2 * v_ref**3) self%A_i = Z_i**2*Z_j**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_i%m**2) * scaleFactor !Missing density because it's cell dependent + self%A_j = Z_j**2*Z_i**2*self%lnCoulomb / (2.D0 * PI**2 * self%sp_j%m**2) * scaleFactor !Missing density because it's cell dependent self%l2_j = self%sp_j%m / 2.D0 !Missing temperature because it's cell dependent + self%l2_i = self%sp_i%m / 2.D0 !Missing temperature because it's cell dependent END SUBROUTINE initInteractionCoulomb From e05c0d4635c3b2ae362334381de37569317cbfee Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 16 Jul 2023 14:28:07 +0200 Subject: [PATCH 128/203] Coulomb Scattering fully conservative Coulomb scattering is now fully conservative thanks to the method in lemos2009small. The trick was to conserve the momentum and energy of ALL particles involved in the scattering in each cell. The substeps in Coulomb collisions have been removed as they are no longer necessary. Still some issues with e-i, but I don't know right now. --- src/modules/init/moduleInput.f90 | 8 +- src/modules/mesh/moduleMesh.f90 | 274 +++++++++++++++++++------------ src/modules/moduleCoulomb.f90 | 8 +- 3 files changed, 175 insertions(+), 115 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index e3927e3..9891806 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -637,7 +637,6 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: electron INTEGER:: e CLASS(meshCell), POINTER:: cell - INTEGER:: subSteps !Firstly, check if the object 'interactions' exists CALL config%info('interactions', found) @@ -771,13 +770,8 @@ MODULE moduleInput pt_i = speciesName2Index(species_i) CALL config%get(object // '.species_j', species_j, found) pt_j = speciesName2Index(species_j) - CALL config%get(object // '.subSteps', subSteps, found) - IF (.NOT. found) THEN - subSteps = 1 - END IF - - CALL coulombMatrix(i)%init(pt_i, pt_j, subSteps) + CALL coulombMatrix(i)%init(pt_i, pt_j) END DO diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 3a65809..7e30326 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -966,7 +966,6 @@ MODULE moduleMesh INTEGER:: k INTEGER:: i, j INTEGER:: n - INTEGER:: t INTEGER:: p TYPE(lNode), POINTER:: partTemp INTEGER(8), ALLOCATABLE:: cellNodes(:) @@ -978,7 +977,6 @@ MODULE moduleMesh REAL(8):: l, lW, l2 REAL(8):: GlW, HlW REAL(8):: normC - REAL(8):: theta, phi !angles between w and c REAL(8):: cosThe, sinThe REAL(8):: cosPhi, sinPhi REAL(8):: rotation(1:3,1:3) !Rotation matrix to go back to laboratory frame @@ -986,8 +984,13 @@ MODULE moduleMesh REAL(8):: deltaW_par, deltaW_par_square, deltaW_per_square !Increments of W REAL(8):: theta_per !Random angle for perpendicular direction REAL(8):: eps = 1.D-12 - REAL(8):: preV(1:3), totalP_ij(1:3), totalP_ji(1:3) - REAL(8), ALLOCATABLE:: deltaV_ji(:,:) + REAL(8), ALLOCATABLE, DIMENSION(:,:):: deltaV_ij, p_ij + REAL(8), ALLOCATABLE, DIMENSION(:):: mass_ij + REAL(8):: massSum_ij + REAL(8), ALLOCATABLE, DIMENSION(:,:):: deltaV_ji, p_ji + REAL(8), ALLOCATABLE, DIMENSION(:):: mass_ji + REAL(8):: massSum_ji + REAL(8):: alpha_num, alpha_den, alpha, beta(1:3) !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(partTemp) @@ -1015,9 +1018,12 @@ MODULE moduleMesh END DO - totalP_ij = 0.D0 + ALLOCATE(deltaV_ij(1:cell%listPart_in(i)%amount, 1:3)) + ALLOCATE(p_ij(1:cell%listPart_in(i)%amount, 1:3)) + ALLOCATE(mass_ij(1:cell%listPart_in(i)%amount)) !Loop over particles of species_i partTemp => cell%listPart_in(i)%head + p = 1 DO WHILE(ASSOCIATED(partTemp)) density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) @@ -1037,8 +1043,89 @@ MODULE moduleMesh A = pair%A_i*density - !Do the required substeps - DO t = 1, pair%nSubSteps + C = partTemp%part%v - velocity + normC = NORM2(C) + + !C_3 = z; C_1, C2 = x, y (per) + C_per = NORM2(C(1:2)) + cosPhi = C(1) / C_per + sinPhi = C(2) / C_per + cosThe = C(3) / normC + sinThe = C_per / normC + + !Rotation matrix to go from W to C + rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column + -sinPhi, cosPhi, 0.D0, & !Second column + sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column + (/ 3, 3 /)) + + !W at start is = (0, 0, normC), so normW = normC + lW = l * normC + GlW = G(lW) + HlW = H(lW) + AW = A / normC + + !Calculate changes in W due to collision process + deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * tauMin + deltaW_par_square = SQRT(AW * GlW * tauMin)*randomMaxwellian() + deltaW_per_square = SQRT(AW * HlW * tauMin)*randomMaxwellian() + + !Random angle to distribute perpendicular change in velocity + theta_per = PI2*random() + + !Change W + W(1) = deltaW_per_square * COS(theta_per) + W(2) = deltaW_per_square * SIN(theta_per) + W(3) = normC + deltaW_par + deltaW_par_square + + !Compute changes in velocity for each particle + deltaV_ij(p,1:3) = MATMUL(rotation, W) + velocity - partTemp%part%v + mass_ij(p) = pair%sp_i%m*partTemp%part%weight + p_ij(p,1:3) = mass_ij(p)*partTemp%part%v + + !Move to the next particle in the list + partTemp => partTemp%next + p = p + 1 + + END DO + + !Do corresponding collisions + IF (i /= j) THEN + !Do scattering of particles from species_j due to species i + !Compute background properties of species_i + DO n = 1, cell%nNodes + node => self%nodes(cellNodes(n))%obj + CALL calculateOutput(node%output(i), output, node%v, pair%sp_i) + densityNodes(n) = output%density/n_ref + velocityNodes(n,1:3) = output%velocity(1:3)/v_ref + temperatureNodes(n) = output%temperature/T_ref + + END DO + + ALLOCATE(deltaV_ji(1:cell%listPart_in(j)%amount, 1:3)) + ALLOCATE(p_ji(1:cell%listPart_in(j)%amount, 1:3)) + ALLOCATE(mass_ji(1:cell%listPart_in(j)%amount)) + !Loop over particles of species_j + partTemp => cell%listPart_in(j)%head + p = 1 + DO WHILE(ASSOCIATED(partTemp)) + density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) + velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) + temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) + + !If cell temperature is too low, skip particle to avoid division by zero + IF (temperature>eps) THEN + l2 = pair%l2_i/temperature + l = SQRT(l2) + + ELSE + partTemp => partTemp%next + + CYCLE + + END IF + A = pair%A_j*density + C = partTemp%part%v - velocity normC = NORM2(C) @@ -1062,9 +1149,9 @@ MODULE moduleMesh AW = A / normC !Calculate changes in W due to collision process - deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * pair%tauSub - deltaW_par_square = SQRT(AW * GlW * pair%tauSub)*randomMaxwellian() - deltaW_per_square = SQRT(AW * HlW * pair%tauSub)*randomMaxwellian() + deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * tauMin + deltaW_par_square = SQRT(AW * GlW * tauMin)*randomMaxwellian() + deltaW_per_square = SQRT(AW * HlW * tauMin)*randomMaxwellian() !Random angle to distribute perpendicular change in velocity theta_per = PI2*random() @@ -1074,105 +1161,90 @@ MODULE moduleMesh W(2) = deltaW_per_square * SIN(theta_per) W(3) = normC + deltaW_par + deltaW_par_square - !Update particle velocity and return to laboratory frame - preV = partTemp%part%v - partTemp%part%v = MATMUL(rotation, W) + velocity - totalP_ij = totalP_ij + pair%sp_i%m*(partTemp%part%v - preV) + !Compute changes in velocity for each particle + deltaV_ji(p,1:3) = MATMUL(rotation, W) + velocity - partTemp%part%v + mass_ji(p) = pair%sp_j%m*partTemp%part%weight + p_ji(p,1:3) = mass_ji(p)*partTemp%part%v - END DO - - !Move to the next particle in the list - partTemp => partTemp%next - - END DO - - !Do corresponding collisions - IF (i /= j) THEN - !Do scattering of particles from species_j due to species i - !Compute background properties of species_i - DO n = 1, cell%nNodes - node => self%nodes(cellNodes(n))%obj - CALL calculateOutput(node%output(i), output, node%v, pair%sp_i) - densityNodes(n) = output%density/n_ref - velocityNodes(n,1:3) = output%velocity(1:3)/v_ref - temperatureNodes(n) = output%temperature/T_ref - - END DO - - totalP_ji = 0.D0 - ALLOCATE(deltaV_ji(1:cell%listPart_in(j)%amount,1:3)) - !Loop over particles of species_j - partTemp => cell%listPart_in(j)%head - p = 1 - DO WHILE(ASSOCIATED(partTemp)) - density = cell%gatherF(partTemp%part%Xi, cell%nNodes, densityNodes) - velocity = cell%gatherF(partTemp%part%Xi, cell%nNodes, velocityNodes) - temperature = cell%gatherF(partTemp%part%Xi, cell%nNodes, temperatureNodes) - - !If cell temperature is too low, skip particle to avoid division by zero - IF (temperature>eps) THEN - l2 = pair%l2_i/temperature - l = SQRT(l2) - - ELSE - partTemp => partTemp%next - - CYCLE - - END IF - A = pair%A_j*density - - !Do the required substeps - DO t = 1, pair%nSubSteps - C = partTemp%part%v - velocity - normC = NORM2(C) - - !C_3 = z; C_1, C2 = x, y (per) - C_per = NORM2(C(1:2)) - cosPhi = C(1) / C_per - sinPhi = C(2) / C_per - cosThe = C(3) / normC - sinThe = C_per / normC - - !Rotation matrix to go from W to C - rotation = RESHAPE((/ cosThe*cosPhi, cosThe*sinPhi, -sinThe, & !First column - -sinPhi, cosPhi, 0.D0, & !Second column - sinThe*cosPhi, sinThe*sinPhi, cosThe /), & !Third column - (/ 3, 3 /)) - - !W at start is = (0, 0, normC), so normW = normC - lW = l * normC - GlW = G(lW) - HlW = H(lW) - AW = A / normC - - !Calculate changes in W due to collision process - deltaW_par = - A * pair%one_plus_massRatio_ij * l2 * GlW * pair%tauSub - deltaW_par_square = SQRT(AW * GlW * pair%tauSub)*randomMaxwellian() - deltaW_per_square = SQRT(AW * HlW * pair%tauSub)*randomMaxwellian() - - !Random angle to distribute perpendicular change in velocity - theta_per = PI2*random() - - !Change W - W(1) = deltaW_per_square * COS(theta_per) - W(2) = deltaW_per_square * SIN(theta_per) - W(3) = normC + deltaW_par + deltaW_par_square - - preV = partTemp%part%v - partTemp%part%v = MATMUL(rotation, W) + velocity - totalP_ji = totalP_ji + pair%sp_j%m*(partTemp%part%v - preV) - - END DO - !Move to the next particle in the list partTemp => partTemp%next + p = p + 1 END DO END IF - print *, k, NORM2(totalP_ij), NORM2(totalP_ji) + !Calculate correction + !Total mass + massSum_ij = SUM(mass_ij) + massSum_ji = 0.D0 + + !Beta + beta = 0.D0 + DO p = 1, cell%listPart_in(i)%amount + beta = beta + mass_ij(p) * deltaV_ij(p,1:3) + + END DO + + IF (i /= j) THEN + massSum_ji = SUM(mass_ji) + DO p = 1, cell%listPart_in(j)%amount + beta = beta + mass_ji(p) * deltaV_ji(p,1:3) + + END DO + + END IF + + beta = beta / (massSum_ij + massSum_ji) + + !Alpha + alpha_num = 0.D0 + alpha_den = 0.D0 + DO p =1, cell%listPart_in(i)%amount + alpha_num = alpha_num + DOT_PRODUCT(p_ij(p,1:3), deltav_ij(p,1:3) - beta(1:3)) + alpha_den = alpha_den + mass_ij(p) * NORM2(deltav_ij(p,1:3) - beta(1:3))**2 + + END DO + + IF (i /= j) THEN + DO p = 1, cell%listPart_in(j)%amount + alpha_num = alpha_num + DOT_PRODUCT(p_ji(p,1:3), deltav_ji(p,1:3) - beta(1:3)) + alpha_den = alpha_den + mass_ji(p) * NORM2(deltav_ji(p,1:3) - beta(1:3))**2 + + END DO + + END IF + + alpha = -2.D0*alpha_num / alpha_den + + !Apply correction to particles velocity + partTemp => cell%listPart_in(i)%head + p = 1 + DO WHILE(ASSOCIATED(partTemp)) + partTemp%part%v = partTemp%part%v + alpha * (deltaV_ij(p,1:3) - beta(1:3)) + partTemp => partTemp%next + p = p + 1 + + END DO + + IF (i /= j) THEN + partTemp => cell%listPart_in(j)%head + p = 1 + DO WHILE(ASSOCIATED(partTemp)) + partTemp%part%v = partTemp%part%v + alpha * (deltaV_ji(p,1:3) - beta(1:3)) + partTemp => partTemp%next + p = p + 1 + + END DO + + END IF + + DEALLOCATE(deltaV_ij, p_ij, mass_ij) + + IF (i /= j) THEN + DEALLOCATE(deltaV_ji, p_ji, mass_ji) + + END IF END DO diff --git a/src/modules/moduleCoulomb.f90 b/src/modules/moduleCoulomb.f90 index 5faa277..166b6b2 100644 --- a/src/modules/moduleCoulomb.f90 +++ b/src/modules/moduleCoulomb.f90 @@ -14,8 +14,6 @@ MODULE moduleCoulomb REAL(8):: A_j REAL(8):: l2_j REAL(8):: l2_i - REAL(8):: tauSub - INTEGER:: nSubSteps CONTAINS PROCEDURE, PASS:: init => initInteractionCoulomb @@ -48,7 +46,7 @@ MODULE moduleCoulomb END FUNCTION H - SUBROUTINE initInteractionCoulomb(self, i, j, subSteps) + SUBROUTINE initInteractionCoulomb(self, i, j) USE moduleSpecies USE moduleErrors USE moduleConstParam @@ -56,14 +54,10 @@ MODULE moduleCoulomb IMPLICIT NONE CLASS(interactionsCoulomb), INTENT(out):: self - INTEGER, INTENT(in):: subSteps INTEGER, INTENT(in):: i, j REAL(8):: Z_i, Z_j REAL(8):: scaleFactor - self%nSubSteps = subSteps - self%tauSub = tauMin / REAL(self%nSubSteps) - self%sp_i => species(i)%obj self%sp_j => species(j)%obj From 2e4b3c3d207ad1d6f03d2284989da08772769069 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 16 Jul 2023 14:44:38 +0200 Subject: [PATCH 129/203] Update of user-manual The user manual has been updated with a simple explanation on how to use Coulomb Scattering. --- doc/user-manual/bibliography.bib | 23 +++++++++++++++++++++++ doc/user-manual/fpakc_UserManual.pdf | Bin 181729 -> 185259 bytes doc/user-manual/fpakc_UserManual.tex | 21 +++++++++++++++++++-- 3 files changed, 42 insertions(+), 2 deletions(-) diff --git a/doc/user-manual/bibliography.bib b/doc/user-manual/bibliography.bib index 878b7ee..9dc17fc 100644 --- a/doc/user-manual/bibliography.bib +++ b/doc/user-manual/bibliography.bib @@ -62,4 +62,27 @@ publisher = {Taylor \& Francis}, } +@Article{sherlock2008monte, + author = {Sherlock, Mark}, + journal = {Journal of Computational Physics}, + title = {A Monte-Carlo method for Coulomb collisions in hybrid plasma models}, + year = {2008}, + number = {4}, + pages = {2286--2292}, + volume = {227}, + groups = {Particle-in-cell}, + publisher = {Elsevier}, +} + +@article{lemons2009small, + title={Small-angle Coulomb collision model for particle-in-cell simulations}, + author={Lemons, Don S and Winske, Dan and Daughton, William and Albright, Brian}, + journal={Journal of Computational Physics}, + volume={228}, + number={5}, + pages={1391--1403}, + year={2009}, + publisher={Elsevier} +} + @Comment{jabref-meta: databaseType:bibtex;} diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 0f549be45ee07a4401640d307fa3c5bdcc6e3cde..c099b01f29ab35ef115ef44b47a742d9d5fd0be6 100644 GIT binary patch delta 102741 zcmZshQ*drw*QR6Jwr$(CZQI&;VkbMcxntY5Z96+Q`~AB6`}^SSs&%kx)~r#h*1

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Tue, 21 Nov 2023 09:53:36 +0100 Subject: [PATCH 130/203] Fixing issue Fixing an issue with reading tables led me to other issues with collisions that I think are fixed right now. I am testing with the 1D ionization model for ALPHIE and things seems to be working properly. --- src/modules/common/moduleTable.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 2 ++ src/modules/moduleCollisions.f90 | 2 +- 3 files changed, 4 insertions(+), 2 deletions(-) diff --git a/src/modules/common/moduleTable.f90 b/src/modules/common/moduleTable.f90 index e4da335..2dc1c75 100644 --- a/src/modules/common/moduleTable.f90 +++ b/src/modules/common/moduleTable.f90 @@ -93,7 +93,7 @@ MODULE moduleTable f = self%fMax ELSE - i = MINLOC(x - self%x, 1) + i = MINLOC(ABS(x - self%x), 1) deltaX = x - self%x(i) IF (deltaX < 0 ) THEN i = i - 1 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 7e30326..e96ff2a 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -911,7 +911,9 @@ MODULE moduleMesh !Loop over collisions DO c = 1, interactionMatrix(k)%amount IF (rnd_real <= probabilityColl(c)) THEN + !$OMP CRITICAL CALL interactionMatrix(k)%collisions(c)%obj%collide(part_i, part_j, vRel) + !$OMP END CRITICAL !If collisions are gonna be output, count the collision IF (collOutput) THEN diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index ccca930..fec4c8d 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -362,7 +362,7 @@ MODULE moduleCollisions CALL sp%ionize(neutral) CLASS DEFAULT - ! CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') + CALL criticalError(sp%name // " is not a neutral", 'collideBinaryIonization') RETURN END SELECT From e41b448ef83cad310ad1dae677c9bc10b55888fc Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Fri, 24 Nov 2023 10:30:50 +0100 Subject: [PATCH 131/203] Different species for secondary electrons The option to have a different species than the impacting electron for secondary electrons from ionization is introduced. --- doc/user-manual/fpakc_UserManual.pdf | Bin 185259 -> 185542 bytes doc/user-manual/fpakc_UserManual.tex | 5 ++++ src/modules/init/moduleInput.f90 | 14 +++++++++--- src/modules/moduleCollisions.f90 | 33 +++++++++++++++++++++++---- 4 files changed, 45 insertions(+), 7 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index c099b01f29ab35ef115ef44b47a742d9d5fd0be6..c424f5016355cf3dd5bdebf5cb23ee291f1c5145 100644 GIT binary patch delta 15413 zcmai4cRbhM_m7gDQHl^r$jIyU-fxu|l8lU`>`gX_(A$bgcD+SNgF=XmjEX{$l#r24 zh0K(Z>UZCLKMk)}kH^m+jnloabM6_>^E~&Ko6TB(n>B8Z5-Wh`e6Ub3bC(~kx22jJ ziEi4Z7gsAi6hsQMJr$4Hm>|quQ}8~w$Un>fv{=07Gqv2l{QTwd!PDgF=wh2ID-$hW zhi6=8cE@XpC0Oshwa%XVOus_1`SaA8%i=R}2QPmwS4f$j4xc^~)&9gL&C6zLTf};e zdUbp2dU12-gLRa*f)VBo4P^ypIwOxhKK51k=Ccs6IOyt2wrS!~csKm$9YfN-Q1WHx zuzm5>pZf$Db$0eBi`nUHuGkRD@hD4lll=+Tr20g?(kIHZd2e9`H~md4s-^9zPw#gs zUf^~Kzd5AF71HGF<&-3?OfiEUIBK@GtqIX6xfP#QThk@bM!8XYZIPvJm@i4>w1oL} zPQ#|=pbHq@fsNNp4zXDks*UYu?jpEsa?yChMD8Bp|FWL3vvghfWudy0Zaao^b34>e z>WheNQf_4$H!B~|m#FEee`Tw8&whQt`RL-{L_r3+*pJIglf-PVx9c8waP6p6R4J7! zd1_cn&l9>%eM37BMQUja%aa~>hx^WRuWCG9_lhdZi#!d`RJboJUw<@FHJ`ZK!OLo6 z72A@SQP8xW;1y>Fa@8gM-8#lAAvSRi0z}UXC(;^-<)t3mV}sn^bY4DkyF9%8n&0I3g>C6PzKOTb*$p~Pj($rFlNocQaC_-w@2oSrBa(TA zsmbWT${rKW-P;u$Y)x|fOuTao?83rWl~g-)U$N{ZgnWr;J>jYK%x-6b;pZrKx-Oi# zgWt-rs0Ec&smTwycI3?COP5ZHvuM;iXzgrUf79ti(tA@E?!sTkxh>Ba z2};8Hx`UFhxL)oe$$C@nEqonxu8XuT^;A2$_G!?azvWw|z zYccI?gg&c1#LQA^qRR``7`y_SXg6*TJO+Ds`j#p%P#h7#ElkyeAk@s z&l4h#NL6YaP<^2}!6CluZcXx(CP&CM@uZOGlXsrV7s3HeXCv||7zjR{^UO#4EhkQP z%Dn7Wy;1g&FMc_oR_+>QpS;DH*1gPyl6PBePC1v_On7^@Xl@FR+Q~P~J9z)are2aR z)w^9aSWA#VA%EQbp;k4|wKeZ93)$66`hdv5{7uQ_LNCJ84d>QWygp#FJ?^uM$3-p4 zg8|+C2NKp=43vI%{dU|cOY_jO^oJ@|v)a7swIKopA}6Qgt~_;&Z5^Q``X38C>Tojn zNWS!Y)~KWIAFPxgb?diQQq}O#2F72D_@r3)z@@@%w z!xhr@;{0asTm4mf`Z+EnQ0B!ly{2BKlz+UTw^C>RS;zgGmPy~hCI0f`H}<(Ed<%Cn z>#xce!xXt&x0st6*^Wtv-{ik}#yHJKSF!!#?BxEZm<@gb_{o<%J6xNFCo~p5h!DF> zAJv*REq)41Ta)T1_+zu9wt!zikhhrh=3#%!{bOfI50ZU`^dhk~1DFSt%kHHc%JOG3 zPHg3Py}{^V-0j9@zWjBeX*aA~wivlDZi*k+V<0xwLwR)eeaO(^XT#B0j3f+q<>!n8lYI5O_1Ftl-fS>t-T1YU|j9oMK| zNNjS0Yps6HS5>!nLy8-A)60HYyQtJEf`clAMWIE;l`eVX_TG!_`qjC%uoCH5<$S%x9(gtj-$nPD0X+Y=SH8N7w>KUS>^7edpfFB`p7WtlUgA>Q zY%```^4@lqw7xc^@*&&cOvkh9ub6ixwm;V7ZmHl5f6u8Sp|ApN%VRn?Hby-ZH|b{l z+#xjb@ta|#^Xnpaq`v3zv5BrD#EM27*3wE z(R!lS?_nN?I-R55OSy35=9ptNofSnXvCp6Bt5ciqjp$2H(uInYpc@)Wq}x%418`?Z z=?<}d!(JcXcNMwo6vNLwb@JZt@YVB_%~MDo$;`1~aA)7JD~yb|E26o_@> zl|h{*wil_Yb5*VvtKM@r?w-<>cJP+mc6HyOntcO2mk+YCR>GAE1wwoIORS3vGwbfz zsyz*@X5DB)sq5O2H`D~_SV?_XJYN4=m-0%CLr%#~HV$X9CaWX@ z&$&xGI#Q%7lVveEov-Lq-nMD#43=}iV8_MDnFg-&k`k%%_{OLYn}iIVc~q7x&NLob zw7dM-KIIXs#o$c4u90wa7t=;!>q_9>{lT|5>=vCwUkzSj)9fsw-r$wOnT#AZqJ-px zJ}a{HT(7EY)iSBI+k5?y5#K_hADgq(jkFz>cUOw;tc=b1`bL$_FFEM8zfrXn4NjW>UKmiI{-Leu>VdxOUB>OXpESmqCL1;Zu~* z`KFqlcnPmZ>ulJjm&(`}?Yu0A84041&cs3+50OCsRF&BVuI`uhC3-@#{2lJefz~zO z8{F%8&++apcxlqy#>zQr!ThrNlAAN9%=cyL*(}2c9%`MX#%e8ZGBsax5oYEjhi-6t z`W$mOO(aR}vZ7n^#_5qB^{S|eZ=Exw2o)@7EaB`xG;*0x^1|}Jf(Yn z-^c5F7{3)wNDTkr=+jsucvOOgUZe5rTFQWFHh)pdE#ilw)Jx;amn-SZ16l+kk8Q+% z)<6G5Ty@0*Lh1mUo2SuLuY4x{v&HmZE20V<^`%=)eE0>Qi>`avsuvO7;_uWU@p(8Qn8V;b z#er%Qp0$>nCHetQ`(HH>sdL+X6Ic^4fFOX>}e}vjkhEWt{p0V zWRv;EzJyD&jIyc}jx3YNqfj#c)!S!VFt~j$w3*KN_BKEIwy!y- z^u3?oc*FCP!jk>FWFxX(?k(D;rqR^lF0V^z?|YLjn!OY%YWMQmJqr4(PtQsaE9Q29ba%Kvq~z={IJbO#ef{GE<*JdccPDwGQl7t3`2el7>6AC9 zU+<{RQEW~s3ehTirYAR=7nQ~%n!R};M7SWezJzOOO=Q@i_!mXX)6AU-q6v3SVLj@V#TYp=HnZ; 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Name of species designed as electrons. Only valid for \textbf{ionization} and \textbf{recombination} processes. + \item \textbf{electronSecondary}: Character. + Optional. + Name of species designed as secondary electrons. + If none provided, \textbf{electron} is used. + Only valid for \textbf{ionization}. \end{itemize} \end{itemize} \item \textbf{Coulomb}: Array of objects. diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 9891806..46b627b 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -634,7 +634,7 @@ MODULE moduleInput INTEGER:: i, k, ij INTEGER:: pt_i, pt_j REAL(8):: energyThreshold, energyBinding - CHARACTER(:), ALLOCATABLE:: electron + CHARACTER(:), ALLOCATABLE:: electron, electronSecondary INTEGER:: e CLASS(meshCell), POINTER:: cell @@ -711,8 +711,16 @@ MODULE moduleInput IF (.NOT. found) CALL criticalError('energyThreshold not found for collision' // object, 'readInteractions') CALL config%get(object // '.electron', electron, found) IF (.NOT. found) CALL criticalError('electron not found for collision' // object, 'readInteractions') - CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & - crossSecFilePath, energyThreshold, electron) + CALL config%get(object // '.electronSecondary', electronSecondary, found) + IF (found) THEN + CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, energyThreshold, electron, electronSecondary) + + ELSE + CALL initBinaryIonization(interactionMatrix(ij)%collisions(k)%obj, & + crossSecFilePath, energyThreshold, electron) + + END IF CASE ('recombination') !Electorn impact ionization diff --git a/src/modules/moduleCollisions.f90 b/src/modules/moduleCollisions.f90 index fec4c8d..d9a6ef2 100644 --- a/src/modules/moduleCollisions.f90 +++ b/src/modules/moduleCollisions.f90 @@ -43,7 +43,8 @@ MODULE moduleCollisions TYPE, EXTENDS(collisionBinary):: collisionBinaryIonization REAL(8):: eThreshold !Minimum energy (non-dimensional units) required for ionization REAL(8):: deltaV !Change in velocity due to exchange of eThreshold - CLASS(speciesCharged), POINTER:: electron !Pointer to species considerer as electrons + CLASS(speciesCharged), POINTER:: electron !Pointer to species considerer as electrons + CLASS(speciesCharged), POINTER:: electronSecondary !Pointer to species considerer as secondary electron CONTAINS PROCEDURE, PASS:: collide => collideBinaryIonization @@ -241,7 +242,7 @@ MODULE moduleCollisions !ELECTRON IMPACT IONIZATION !Inits electron impact ionization - SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, electron) + SUBROUTINE initBinaryIonization(collision, crossSectionFilename, energyThreshold, electron, electronSecondary) USE moduleTable USE moduleRefParam USE moduleConstParam @@ -253,7 +254,8 @@ MODULE moduleCollisions CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSectionFilename REAL(8), INTENT(in):: energyThreshold CHARACTER(:), ALLOCATABLE, INTENT(in):: electron - INTEGER:: electronIndex + CHARACTER(:), ALLOCATABLE, OPTIONAL, INTENT(in):: electronSecondary + INTEGER:: electronIndex, electronSecondaryIndex ALLOCATE(collisionBinaryIonization:: collision) @@ -278,10 +280,27 @@ MODULE moduleCollisions CLASS DEFAULT CALL criticalError("Species " // sp%name // " chosen for " // & - "secondary electron is not a charged species", 'initBinaryIonization') + "impacting electron is not a charged species", 'initBinaryIonization') END SELECT + IF (PRESENT(electronSecondary)) THEN + electronSecondaryIndex = speciesName2Index(electronSecondary) + SELECT TYPE(sp => species(electronSecondaryIndex)%obj) + TYPE IS(speciesCharged) + collision%electronSecondary => sp + + CLASS DEFAULT + CALL criticalError("Species " // sp%name // " chosen for " // & + "secondary electron is not a charged species", 'initBinaryIonization') + + END SELECT + + ELSE + collision%electronSecondary => NULL() + + END IF + !momentum change per ionization process collision%deltaV = sqrt(collision%eThreshold / collision%electron%m) @@ -336,6 +355,12 @@ MODULE moduleCollisions !Copy basic information from primary electron newElectron = electron + !If secondary electron species indicates, convert + IF (ASSOCIATED(self%electronSecondary)) THEN + newElectron%species => self%electronSecondary + + END IF + !Secondary electorn gains energy from ionization newElectron%v = vChange From d86b3a3417282cc65f26dcb3396de9194b77abf0 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 28 Mar 2024 09:45:46 +0100 Subject: [PATCH 132/203] Implementing injection with current density WARNING: This current denstiy will be multiplied by the reference length, no the surface area that is being used for injection! New units in the injection of particles 'Am2' to inject a density current. Manual has been modified accordingly. Reference parameters are now also printed in the case folder. --- doc/user-manual/fpakc_UserManual.pdf | Bin 185542 -> 185817 bytes doc/user-manual/fpakc_UserManual.tex | 102 ++++++++++++------------ src/fpakc.f90 | 4 + src/modules/init/moduleInput.f90 | 63 ++++++++++----- src/modules/mesh/moduleMeshBoundary.f90 | 8 +- src/modules/moduleBoundary.f90 | 24 +++++- src/modules/moduleInject.f90 | 4 + src/modules/solver/moduleSolver.f90 | 5 -- 8 files changed, 133 insertions(+), 77 deletions(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index c424f5016355cf3dd5bdebf5cb23ee291f1c5145..2453bb7a03988944220d03dbe093216dd6203ec1 100644 GIT binary patch delta 140047 zcmZs>Q;;UWwl!F`ZQHhO+jf_&uWXxLw(Tz4wrv|deP;f9Ct}V-CdI+9ThtJByo71Z6JwI0G^7&yy(1W{q{Cc!y?}t*md14r|3i) z9WSu+I0S5s1nVvz7vo8fQ(8Z+s9d(M4?co^<^#&{GAMug(zVWyqK!BwC_t#7IBDX!rZhJ(cc|NgiuFesSZeWyf z5NY^DR4N}F_`!7say!bVi!nL}K?&GrOIp?2FVIobvKs@9JLQtWvdt`ROtfUSP= 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macro-particles as they move and interact between them and the boundaries of the domain. Particles properties are scattered into a finite element mesh in 1, 2 or three dimensions, with the possibility to choose different geometries. The official repository can be found at: \url{https://gitlab.com/JorgeGonz/fpakc.git}. - The code is currently in very early steps of development and further improvements are expected very soon. + The code is currently in the very early steps of development and further refinements are expected very soon. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Main Guidelines} @@ -86,11 +86,11 @@ \item \acrshort{fpakc} is coded in a \textit{understandable} way. This means that the code is required to be written in a clear way that is easy to understand and maintain. Variables and procedure names need to be self-understanding. - This ease the process of fixing bugs and improving the codes by a large team of developers. + This eases the process of fixing bugs and improving the codes by a large team of developers. For more information, please refer to the \acrshort{fpakc} Coding Style document. - \item \acrshort{fpakc} requires to be ease to use. + \item \acrshort{fpakc} requires being ease to use. Input files are required to be in a \textit{human} format, meaning that the different options can be easily understood without constant reference to the user guide. - \acrshort{fpakc} is aimed to be used in a wide range of applications and by a variety of scientist: from very established ones to newcomers to the field and also students. + \acrshort{fpakc} is aimed to be used in a wide range of applications and by various scientists: from well-established ones to newcomers to the field and also students. \end{enumerate} These are foundation stones of \acrshort{fpakc} and its development and should always be followed, at least for the releases in the official repository. @@ -105,16 +105,16 @@ \section{The Particle Method} \Gls{fpakc} uses macro-particles to simulate the dynamics of different plasma species (mainly ions, electrons and neutrals). These macro-particles could represent a large amount of real particles. - For now own, macro-particles will be referred as just particles by abusing of language. + For now own, macro-particles will be referred as just particles by abuse of language. During the initiation phase, the input and mesh file(s) are reading. If an initial distribution for a species is specified in the input file, particles to match that distribution are loaded into the cells. The general steps performed in each iteration are: \begin{enumerate} \item Firstly, new particles are introduced into the domain as specified in the input file. - \item Particles are then pushed accounting for possible acceleration by external forces. - During this process, if a particle changes cell it is found using the connectivity between elements. - If a particle encounters a boundary instead a new cell, the interaction between the boundary and the wall is computed. + \item Particles are then pushed, accounting for possible acceleration by external forces. + During this process, if a particle changes cell, it is found using the connectivity between elements. + If a particle encounters a boundary instead a new cell, the interaction between the boundary and the wall are computed. A particle may abandon the computational domain and is no longer accounted for. \item Next, collisions for the particles inside each cell are carried out. This may include different collision processes for each particle. @@ -124,10 +124,10 @@ \item Finally, particle properties are scattered among the mesh nodes. These properties are density, momentum and the stress tensor. \item If requested, the electromagnetic field is computed. - \item If the number of iteration requires writing output files, it is done after all steps for the particles is completed. + \item If the number of iteration requires writing output files, it is done after all steps for the particles are completed. \end{enumerate} - \Gls{fpakc} has the capability to configure all the behavior of the simulation via the input file. + \Gls{fpakc} has the capability to configure all the behaviour of the simulation via the input file. Parameters as injection, the kind of pusher used for each species, boundary conditions or collisions are user-input parameters and will be described in Chap.~\ref{ch:input_file}. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -168,8 +168,8 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Find new cell} Once the position and velocity of the particle are updated, the new cell that contains the particle is searched. - This is done by a neighbor search, starting from the previous cell containing the particle. - In the process of finding the new cell, it is possible that a particle encounters a boundary. + This is done by a neighbour search, starting from the previous cell containing the particle. + In the process of finding the new cell, a particle might encounter a boundary. When the particle interacts with the boundary, the particle may continue its life in the simulation or might be eliminated from it. Once that the new cell is found or that the particle life has been terminated, the pushing is complete. If a secondary mesh is used for the Monte-Carlo Collision method, the new cell in that mesh in which the particle reside is also found by the same method, although no interaction with the boundaries is accounted for this step. @@ -178,7 +178,7 @@ \section{Variable Weighting Scheme\label{sec:weightingScheme}} One of the issues in particle simulations, specially for axial-symmetrical cases, is that due to the disparate volume of cells, specially close to the axis, the statistics in some cells is usually poor. To try to fix that, the possibility to include a Variable Weighting Scheme in the simulations is available in \Gls{fpakc}. - These schemes detect when a particle change cells and split it if necessary to improve statistics. + These schemes detect when a particle changes cells and split it if necessary to improve statistics. The use of a Variable Weighting Scheme is defined by the user in the input file. Beware that this can increase the number of particles in the simulation and increase computational time. @@ -189,16 +189,16 @@ \Gls{fpakc} distinguish between two types of interactions: \acrfull{mcc} and \acrfull{cs}. \acrshort{mcc} refers to the process in which two particles interact in short range. These processes include, but are not limited to: elastic collisions, ionization/recombination, charge-exchange, excitation/de-excitation\ldots - A secondary mesh, with cell sizes in the range of the mean-free path, can be used for this type of collisions. + A secondary mesh, with cell sizes in the range of the mean-free path, can be used for this type of collision. \acrshort{cs} refers to the large range interaction that a charged species suffer do to the charge of other particles. The interactions between the different species is defined by the user. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{\acrlong{mcc}} - For each cell the maximum number of collisions between particle is computed. + For each cell, the maximum number of collisions between particle is computed. For each collision, a random pair of particles is chosen. A loop over all possible collisions for the pair of particles chosen is performed. - If a random number is above the probability of collision for that specific type, the collision take place. + If a random number is above the probability of collision for that specific type, the collision takes place. If not, the next type for the particle pair is checked. Below are described the type of collision process implemented in \acrshort{fpakc}: @@ -219,7 +219,7 @@ \item Recombination. When an electron and an ion interact, there is a possibility for them to be recombined into a neutral particle. - The photon emitted by this process is not modelled yet. + The photons emitted by this process are not modelled yet. \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -238,7 +238,7 @@ Once that the pushing is complete, the array of particles that remain inside the domain is copied to a new array. The new array containing only the particles inside the domain will be the one used in the next steps. In this section, particles are assigned to the list of particles inside each individual cell. - Unfortunately, this is done right now without parallelisation and is very CPU consuming. + Unfortunately, this is done right now without parallelization and is very CPU consuming. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Probing}\label{sec:probing} @@ -250,21 +250,21 @@ The user can decide the grid width and the number of points in each direction. The distribution function will be calculated and wrote with a time step decided by the user. - If a particle velocity resides outside of the velocity grid (in any direction), it wont be added to the tally of the distribution function. - Due to the limitation of only taking into account particles in the cell, and not neighbour particles, two probes for the same species at different positions but in the same cell will output the same results. - A more advance method taking into account distance between the particles and the probe position as well as particles in neighbour cells could be implemented to improve the statistics of the distribution function. + If a particle velocity resides outside the velocity grid (in any direction), it will not be added to the tally of the distribution function. + Due to the limitation of only considering particles in the cell, and not neighbour particles, two probes for the same species at different positions but in the same cell will output the same results. + A more advance method considering distance between the particles and the probe position as well as particles in neighbour cells could be implemented to improve the statistics of the distribution function. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Scattering} The properties of each particle are deposited in the nodes from the containing cell. - This process depend on the cell type, but in general, each node receive a proportional part of the particle properties as a function of the particle position inside the cell. - Figure \ref{fig:scatteringQuad} shows how a particle at a generic position $p(x_1, x_2)$ inside the cell is scattered to the four nodes. + This process depends on the cell type, but in general, each node receives a proportional part of the particle properties as a function of the particle position inside the cell. + The figure \ref{fig:scatteringQuad} shows how a particle at a generic position $p(x_1, x_2)$ inside the cell is scattered to the four nodes. \begin{wrapfigure}{l}{0.4\textwidth} \centering \includegraphics{figures/scatteringQuad} \caption{\label{fig:scatteringQuad}Example of how a particle is weighted in a quadrilateral cell.} \end{wrapfigure} - Each node receives a proportional part of the area formed by dividing the cell in for rectangles using as an additional vertex the particle position. + Each node receives a proportional part of the area formed by dividing the cell in for rectangles, using as an additional vertex the particle position. These properties are dimensionless, but they are converted to the correct units once the output is printed. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -273,11 +273,11 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Average scheme} - Particle-in-cell codes has an intrinsic statistical noise associated with them. + Particle-in-cell codes have an intrinsic statistical noise associated with them. Although this can be reduced by increasing the number of particles, this also increases the CPU requirements of the case. It is quite common that most cases reach a quasi-steady state after a number of iterations and time-average results can be obtained after to improve analysis, plotting and restarting the case using these time-average results as new species backgrounds. - Although this is possible to do once the simulation is finished with post-processing tools, this is limited to the amount of iterations printed. + Although this is possible to do once the simulation is finished with post-processing tools, this is limited to the number of iterations printed. \Gls{fpakc} implements a simple average scheme that, after a start time provided by the user, scores a mean and standard deviation of all the main species properties, and the electromagnetic field. This scheme is based on the Welford's online algorithm~\cite{welford1962note}. @@ -286,7 +286,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \chapter{Installation} \section{Required Packages} - In order to properly compile \gls{fpakc}, the following packages are required. + To properly compile \gls{fpakc}, the following packages are required. \subsection{Gfortran} The \Gls{opensource} free compiler \Gls{gfortran}\cite{gfortranURL} from GCC is the basic way to compile \acrshort{fpakc}. It is distributed with all GNU/Linux distributions. @@ -369,7 +369,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{Case file} The required format for the case file is \Gls{json}. - \Gls{json} is a case-sensitive format, so input must be written with the correct capitalisation. + \Gls{json} is a case-sensitive format, so input must be written with the correct capitalization. The basic structure and options available for the case file are explained below. The order of the objects and variables is irrelevant, but the structure needs to be maintained. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -380,9 +380,9 @@ make \item \textbf{path}: Character. Path for the output files. This path is also used to locate the mesh input file. \item \textbf{folder}: Character. - Base name of the folder in wich output files are placed. + Base name of the folder in which output files are placed. The date and time is appended to this name. - If none is provided, only the date and time is writted as the folder name. + If none is provided, only the date and time is written as the folder name. \item \textbf{triggerOutput}: Integer. Determines the number of iterations between writing output files for macroscopic quantities. \item \textbf{cpuTime}: Logical. @@ -515,7 +515,7 @@ make \item \textbf{absorption}: Particle is eliminated from the domain. The particle is first moved into the edge and its properties are scattered among the edge nodes. \item \textbf{transparent}: Particle abandon the numerical domain. - \item \textbf{wallTemperature}: Reflective wall with cosntant temperature that exchange heat with particles. + \item \textbf{wallTemperature}: Reflective wall with constant temperature that exchange heat with particles. Required parameters are: \begin{itemize} \item \textbf{temperature}: Real. @@ -526,8 +526,8 @@ make Specific heat capacity of the material. \end{itemize} \item \textbf{ionization}: Per each particle crossing the surface with this type of boundary, a number of ionization events are calculated. - A pair of ion-electron is generated for each ionization event taking as a reference a neutral background. - Secondary electron is taken as same type as incident particle. + A pair of ion-electron is generated for each ionization event, taking as a reference a neutral background. + The secondary electron is taken as the same type as the incident particle. The available input is: \begin{itemize} \item \textbf{neutral}: Object. @@ -540,7 +540,7 @@ make \item \textbf{mass}: Real. Units in $\unit{kg}$. Mass of neutral species. - If missing, the mass of the ion is ussed + If missing, the mass of the ion is used \item \textbf{density}: Real. Units in $\unit{m^{-3}}$. Density of neutral background. @@ -558,18 +558,18 @@ make \end{itemize} \item \textbf{effectiveTime}: Real. Units in $\unit{s}$. - As the particle is no longer simulated once it crossed the boundary, this time represent the effective time in which the particle produces ionization processes in the neutral background. + As the particle is no longer simulated once it crossed the boundary, this time represents the effective time in which the particle produces ionization processes in the neutral background. Required parameter. \item \textbf{energyThreashold}: Real. Units in $\unit{eV}$. Ionization energy threshold for the simulated process. Required parameter. \item \textbf{crossSection}: Character. - Complete path to the cross section data for the ionization process. + Complete path to the cross-section data for the ionization process. \end{itemize} \item \textbf{axis}: Identifies the symmetry axis for 2D cylindrical simulations. - If for some reason a particle interact with this axis, it is reflected. + If , for some reason, a particle interacts with this axis, it is reflected. \end{itemize} \end{itemize} @@ -596,7 +596,7 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{inject} The array \textbf{inject} specifies the injection of particles from different surfaces. - The injection of particles need to be associated to a physicalSurface in the mesh file. + The injection of particles needs to be associated to a physicalSurface in the mesh file. Multiple injections can be associated to the same surface. \begin{itemize} \item \textbf{name}: Character. @@ -610,7 +610,9 @@ make Available values are: \begin{itemize} \item \textbf{A}: Ampere. - \item \textbf{sccm}: Standard cubic centimeter. + \item \textbf{Am2}: Ampere per square meter. + This value will be multiplied by the square of the reference length to convert to A, it will not consider the surface area of injection. + \item \textbf{sccm}: Standard cubic centimetre. \item \textbf{part/s}: Particles (real) per second. \end{itemize} \item \textbf{v}: Real. @@ -627,7 +629,7 @@ make \begin{itemize} \item \textbf{Maxwellian}: Maxwellian distribution of temperature \textbf{T} and mean \textbf{v} times the value of \textbf{n} in the specified direction. \item \textbf{Half-Maxwellian}: Half-Maxwellian distribution of temperature \textbf{T} and mean \textbf{v} times the value of \textbf{n} in the specified direction. - Only takes into account the positive part of the half-Maxwellian. + Only considers the positive part of the half-Maxwellian. \item \textbf{Delta}: Dirac's delta distribution function. All particles are injected with velocity \textbf{v} times the value of \textbf{n} in the specified direction. \end{itemize} \item \textbf{T}: Real. @@ -651,7 +653,7 @@ make \item \textbf{radius}: Real. Reference atomic radius in $\unit{m}$. \item \textbf{crossSection}: Real. - Reference cross section in $\unit{m^2}$. + Reference cross-section in $\unit{m^2}$. If this value is present, radius is ignored. \end{itemize} @@ -677,8 +679,8 @@ make Indicates the type of pusher used for each species: \begin{itemize} \item \textbf{Neutral}: Pushes a particle without any external force. - \item \textbf{Electrostatic}: Pushes a particle including the effect of the electrostatic field. - \item \textbf{Electromagnetic}: Pushes particles accounting for the electromagnetic field. + \item \textbf{Electrostatic}: Pushes a particle, including the effect of the electrostatic field. + \item \textbf{Electromagnetic}: Pushes a particle, accounting for the electromagnetic field. \end{itemize} \item \textbf{WeightingScheme}: Character. Indicates the variable weighting scheme to be used in the simulation. @@ -726,11 +728,11 @@ make \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{interactions}\label{ssec:input_interactions} - This object determine the different interactions among species. + This object determines the different interactions among species. Acceptable values are: \begin{itemize} \item \textbf{folderCollisions}: Character. - Indicates the path to in which the cross section tables are allocated. + Indicates the path to in which the cross-section tables are allocated. \item \textbf{meshCollisions}: Character. Determines a specific mesh for \acrshort{mcc} processes. The file needs to be located in the folder \textbf{output.folder}. @@ -757,7 +759,7 @@ make Accepted values are \textbf{elastic}, \textbf{chargeExchange}, \textbf{ionization} and \textbf{recombination}. Please refer to Sec.~\ref{ssec:collisions} for a description of the different collision types. \item \textbf{crossSection}: Character. - File in \textbf{interactions.folderCollisions} that contains the cross section data as a 1D table of relative energy (in $\unit{eV}$) and cross section (in $\unit{m^-2}$). + File in \textbf{interactions.folderCollisions} that contains the cross-section data as a 1D table of relative energy (in $\unit{eV}$) and cross-section (in $\unit{m^-2}$). \item \textbf{energyThreshold}: Real. Energy threshold of the collisional process in $\unit{eV}$. Only valid for \textbf{ionization} and \textbf{recombination} processes. @@ -778,7 +780,7 @@ make \begin{itemize} \item \textbf{species\_i}, \textbf{species\_j}: Character. Define the two species involved in the collision processes. - Order is indiferent. + Order is indifferent. \end{itemize} \end{itemize} @@ -804,9 +806,9 @@ make %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{1D Emissive Cathode (1D\_Cathode)} - Emission from a 1D cathode in both, cartesian and radial coordinates. - Both cases insert the same amount of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. - This case is useful to ilustrate hoy \acrshort{fpakc} can deal with different geometries by just modifying some parameters in the input file. + Emission from a 1D cathode in both, Cartesian and radial coordinates. + Both cases insert the same number of electrons from the minimum coordinate and have the same boundary conditions for particles and the electrostatic field. + This case is useful to illustrate how \acrshort{fpakc} can deal with different geometries by just modifying some parameters in the input file. The same mesh file (\lstinline|mesh.msh|) is used for both cases. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/src/fpakc.f90 b/src/fpakc.f90 index e85f5f6..e90a5e0 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -27,6 +27,10 @@ PROGRAM fpakc !Reads the json configuration file CALL readConfig(inputFile) + + !Create output folder and initial files + CALL initOutput(inputFile) + !Do '0' iteration t = tInitial diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 46b627b..7a1b206 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -84,20 +84,6 @@ MODULE moduleInput CALL readParallel(config) CALL checkStatus(config, "readParallel") - !If everything is correct, creates the output folder - CALL EXECUTE_COMMAND_LINE('mkdir ' // path // folder ) - !Copies input file to output folder - CALL EXECUTE_COMMAND_LINE('cp ' // inputFile // ' ' // path // folder) - !Copies particle mesh - IF (mesh%dimen > 0) THEN - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) - IF (doubleMesh) THEN - CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) - - END IF - - END IF - END SUBROUTINE readConfig !Checks the status of the JSON case file and, if failed, exits the execution. @@ -813,8 +799,8 @@ MODULE moduleInput REAL(8), DIMENSION(:), ALLOCATABLE:: v0 REAL(8):: effTime REAL(8):: eThreshold !Energy threshold - INTEGER:: speciesID - CHARACTER(:), ALLOCATABLE:: speciesName, crossSection + INTEGER:: speciesID, electronSecondaryID + CHARACTER(:), ALLOCATABLE:: speciesName, crossSection, electronSecondary LOGICAL:: found INTEGER:: nTypes @@ -869,8 +855,17 @@ MODULE moduleInput CALL config%get(object // '.crossSection', crossSection, found) IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') - CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & - speciesID, effTime, crossSection, eThreshold) + CALL config%get(object // '.electronSecondary', electronSecondary, found) + electronSecondaryID = speciesName2Index(electronSecondary) + IF (found) THEN + CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & + speciesID, effTime, crossSection, eThreshold,electronSecondaryID) + + ELSE + CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & + speciesID, effTime, crossSection, eThreshold) + + END IF CASE('wallTemperature') CALL config%get(object // '.temperature', Tw, found) @@ -1380,5 +1375,37 @@ MODULE moduleInput END SUBROUTINE readParallel + SUBROUTINE initOutput(inputFile) + USE moduleRefParam + USE moduleMesh, ONLY: mesh, doubleMesh, pathMeshParticle, pathMeshColl + USE moduleOutput, ONLY: path, folder + IMPLICIT NONE + + CHARACTER(:), ALLOCATABLE, INTENT(in):: inputFile + INTEGER:: fileReference = 30 + !If everything is correct, creates the output folder + CALL EXECUTE_COMMAND_LINE('mkdir ' // path // folder ) + !Copies input file to output folder + CALL EXECUTE_COMMAND_LINE('cp ' // inputFile // ' ' // path // folder) + !Copies particle mesh + IF (mesh%dimen > 0) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshParticle // ' ' // path // folder) + IF (doubleMesh) THEN + CALL EXECUTE_COMMAND_LINE('cp ' // pathMeshColl // ' ' // path // folder) + + END IF + + END IF + + ! Write commit of fpakc + CALL SYSTEM('git rev-parse HEAD > ' // path // folder // '/' // 'fpakc_commit.txt') + + ! Write file with reference values + OPEN (fileReference, file=path // folder // '/' // 'reference.txt') + WRITE(fileReference, "(7(1X,A20))") 'L_ref', 'v_ref', 'ti_ref', 'Vol_ref', 'EF_ref', 'Volt_ref', 'B_ref' + WRITE(fileReference, "(7(1X,ES20.6E3))") L_ref, v_ref, ti_ref, Vol_ref, EF_ref, Volt_ref, B_ref + CLOSE(fileReference) + + END SUBROUTINE initOutput END MODULE moduleInput diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 4f72e10..091e52e 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -147,7 +147,13 @@ MODULE moduleMeshBoundary ALLOCATE(newElectron) ALLOCATE(newIon) - newElectron%species => part%species + IF (ASSOCIATED(bound%electronSecondary)) THEN + newElectron%species => bound%electronSecondary + + ELSE + newElectron%species => part%species + + END IF newIon%species => bound%species newElectron%v = v0 + (1.D0 + bound%deltaV*v0/NORM2(v0)) diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 83c815c..0b76105 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -38,6 +38,7 @@ MODULE moduleBoundary TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryIonization REAL(8):: m0, n0, v0(1:3), vTh !Properties of background neutrals. CLASS(speciesGeneric), POINTER:: species !Ion species + CLASS(speciesCharged), POINTER:: electronSecondary !Pointer to species considerer as secondary electron TYPE(table1D):: crossSection REAL(8):: effectiveTime REAL(8):: eThreshold @@ -103,17 +104,19 @@ MODULE moduleBoundary END SUBROUTINE initWallTemperature - SUBROUTINE initIonization(boundary, me, m0, n0, v0, T0, speciesID, effTime, crossSection, eThreshold) + SUBROUTINE initIonization(boundary, me, m0, n0, v0, T0, ion, effTime, crossSection, eThreshold, electronSecondary) USE moduleRefParam USE moduleSpecies USE moduleCaseParam USE moduleConstParam + USE moduleErrors IMPLICIT NONE CLASS(boundaryGeneric), ALLOCATABLE, INTENT(out):: boundary REAL(8), INTENT(in):: me !Electron mass REAL(8), INTENT(in):: m0, n0, v0(1:3), T0 !Neutral properties - INTEGER:: speciesID + INTEGER, INTENT(in):: ion + INTEGER, OPTIONAL, INTENT(in):: electronSecondary REAL(8):: effTime CHARACTER(:), ALLOCATABLE, INTENT(in):: crossSection REAL(8), INTENT(in):: eThreshold @@ -126,7 +129,22 @@ MODULE moduleBoundary boundary%n0 = n0 * Vol_ref boundary%v0 = v0 / v_ref boundary%vTh = DSQRT(kb*T0/m0)/v_ref - boundary%species => species(speciesID)%obj + boundary%species => species(ion)%obj + IF (PRESENT(electronSecondary)) THEN + SELECT TYPE(sp => species(electronSecondary)%obj) + TYPE IS(speciesCharged) + boundary%electronSecondary => sp + + CLASS DEFAULT + CALL criticalError("Species " // sp%name // " chosen for " // & + "secondary electron is not a charged species", 'initIonization') + + END SELECT + + ELSE + boundary%electronSecondary => NULL() + + END IF boundary%effectiveTime = effTime / ti_ref CALL boundary%crossSection%init(crossSection) CALL boundary%crossSection%convert(eV2J/(m_ref*v_ref**2), 1.D0/L_ref**2) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 4e57083..b37e021 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -110,6 +110,10 @@ MODULE moduleInject !Input current in Ampers self%nParticles = INT(flow*tauInject*ti_ref/(qe*species(sp)%obj%weight)) + CASE ("Am2") + !Input current in Ampers per square meter + self%nParticles = INT(flow*tauInject*ti_ref*L_ref**2/(qe*species(sp)%obj%weight)) + CASE ("part/s") !Input current in Ampers self%nParticles = INT(flow*tauInject*ti_ref/species(sp)%obj%weight) diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index e539fed..0b2837f 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -517,11 +517,6 @@ MODULE moduleSolver INTEGER, INTENT(in):: t - IF (t == tInitial) THEN - CALL SYSTEM('git rev-parse HEAD > ' // path // folder // '/' // 'fpack_commit.txt') - - END IF - CALL outputProbes(t) counterOutput = counterOutput + 1 From a3bdf8230a50fd21f0dd23e55c831df5d8f7cc06 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 19 May 2024 10:55:20 +0200 Subject: [PATCH 133/203] Implementation of Boltzmann electrons Still not working, just saving code. --- src/modules/init/moduleInput.f90 | 4 + .../solver/electromagnetic/moduleEM.f90 | 95 +++++++++++++++++-- src/modules/solver/moduleSolver.f90 | 2 + 3 files changed, 94 insertions(+), 7 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 46b627b..7f6c036 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -273,6 +273,10 @@ MODULE moduleInput !Read BC CALL readEMBoundary(config) + CASE("ElectrostaticBoltzmann") + !Read BC + CALL readEMBoundary(config) + CASE("ConstantB") !Read BC CALL readEMBoundary(config) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index bdf6b03..c7c74ee 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -49,7 +49,7 @@ MODULE moduleEM END SUBROUTINE !Assemble the source vector based on the charge density to solve Poisson's equation - SUBROUTINE assembleSourceVector(vectorF) + SUBROUTINE assembleSourceVector(vectorF, n_e) USE moduleMesh USE moduleRefParam IMPLICIT NONE @@ -58,15 +58,16 @@ MODULE moduleEM REAL(8), ALLOCATABLE:: localF(:) INTEGER, ALLOCATABLE:: nodes(:) REAL(8), ALLOCATABLE:: rho(:) + REAL(8), INTENT(in), OPTIONAL:: n_e(1:mesh%numNodes) INTEGER:: nNodes INTEGER:: e, i, ni CLASS(meshNode), POINTER:: node - !$OMP SINGLE + ! !$OMP SINGLE vectorF = 0.D0 - !$OMP END SINGLE + ! !$OMP END SINGLE - !$OMP DO REDUCTION(+:vectorF) + ! !$OMP DO REDUCTION(+:vectorF) DO e = 1, mesh%numCells nNodes = mesh%cells(e)%obj%nNodes nodes = mesh%cells(e)%obj%getNodes(nNodes) @@ -77,6 +78,10 @@ MODULE moduleEM ni = nodes(i) node => mesh%nodes(ni)%obj rho(i) = DOT_PRODUCT(qSpecies(:), node%output(:)%den/(vol_ref*node%v*n_ref)) + IF (PRESENT(n_e)) THEN + rho(i) = rho(i) - n_e(i) + + END IF END DO @@ -94,10 +99,10 @@ MODULE moduleEM DEALLOCATE(nodes, rho) END DO - !$OMP END DO + ! !$OMP END DO !Apply boundary conditions - !$OMP DO + ! !$OMP DO DO i = 1, mesh%numNodes node => mesh%nodes(i)%obj @@ -108,7 +113,7 @@ MODULE moduleEM END SELECT END DO - !$OMP END DO + ! !$OMP END DO END SUBROUTINE assembleSourceVector @@ -156,4 +161,80 @@ MODULE moduleEM END SUBROUTINE solveElecField + FUNCTION BoltzmannElectron(phi, n) RESULT(n_e) + USE moduleRefParam + USE moduleConstParam + IMPLICIT NONE + + INTEGER, INTENT(in):: n + REAL(8), INTENT(in):: phi(1:n) + REAL(8):: n_e(1:n) + REAL(8):: n_e0 = 1.0D16, phi_0 = -520.0D0, T_e = 11604.0 + + n_e = n_e0 / n_ref * EXP(-qe * (phi*Volt_ref - phi_0) / (kb * T_e)) + + RETURN + + END FUNCTION BoltzmannElectron + + SUBROUTINE solveElecFieldBoltzmann + USE moduleMesh + USE moduleErrors + IMPLICIT NONE + + INTEGER, SAVE:: INFO + INTEGER:: n + REAL(8), ALLOCATABLE, SAVE:: tempF(:) + REAL(8), ALLOCATABLE:: n_e(:), phi_old(:) + INTEGER:: k + EXTERNAL:: dgetrs + + !$OMP SINGLE + ALLOCATE(tempF(1:mesh%numNodes)) + ALLOCATE(n_e(1:mesh%numNodes)) + ALLOCATE(phi_old(1:mesh%numNodes)) + DO n = 1, mesh%numNodes + tempF(n) = mesh%nodes(n)%obj%emData%phi + + END DO + n_e = BoltzmannElectron(tempF, mesh%numNodes) + !$OMP END SINGLE + + CALL assembleSourceVector(tempF, n_e) + + !$OMP SINGLE + DO k = 1, 5 + phi_old = tempF + CALL dgetrs('N', mesh%numNodes, 1, mesh%K, mesh%numNodes, & + mesh%IPIV, tempF, mesh%numNodes, info) + + PRINT*, k, "diff = ", MAXVAL(ABS(tempF - phi_old)) + n_e = BoltzmannElectron(tempF, mesh%numNodes) + CALL assembleSourceVector(tempF, n_e) + + END DO + !$OMP END SINGLE + + IF (info == 0) THEN + !Suscessful resolution of Poission equation + !$OMP DO + DO n = 1, mesh%numNodes + mesh%nodes(n)%obj%emData%phi = tempF(n) + + END DO + !$OMP END DO + + ELSE + !$OMP SINGLE + CALL criticalError('Poisson equation failed', 'solveElecFieldBoltzmann') + !$OMP END SINGLE + + END IF + + !$OMP SINGLE + DEALLOCATE(tempF) + !$OMP END SINGLE + + END SUBROUTINE solveElecFieldBoltzmann + END MODULE moduleEM diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index e539fed..c7a0785 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -138,6 +138,8 @@ MODULE moduleSolver CASE('Electrostatic','ConstantB') self%solveEM => solveElecField + CASE('ElectrostaticBoltzmann') + self%solveEM => solveElecFieldBoltzmann END SELECT END SUBROUTINE initEM From e4f7987f9078a44dec5484df643402c7f0e20280 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 19 May 2024 16:45:03 +0200 Subject: [PATCH 134/203] Trying to solve Still I don't understand this basic thing... --- .../solver/electromagnetic/moduleEM.f90 | 30 ++++++++++++------- 1 file changed, 19 insertions(+), 11 deletions(-) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index c7c74ee..0f02bed 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -170,8 +170,18 @@ MODULE moduleEM REAL(8), INTENT(in):: phi(1:n) REAL(8):: n_e(1:n) REAL(8):: n_e0 = 1.0D16, phi_0 = -520.0D0, T_e = 11604.0 + INTEGER:: i - n_e = n_e0 / n_ref * EXP(-qe * (phi*Volt_ref - phi_0) / (kb * T_e)) + DO i =1, n + IF (phi(i)*Volt_ref >= phi_0) THEN + n_e(i) = n_e0 / n_ref * EXP(-qe * (phi(i)*Volt_ref - phi_0) / (kb * T_e)) + + ELSE + n_e(i) = 0.D0 + + END IF + + END DO RETURN @@ -185,7 +195,7 @@ MODULE moduleEM INTEGER, SAVE:: INFO INTEGER:: n REAL(8), ALLOCATABLE, SAVE:: tempF(:) - REAL(8), ALLOCATABLE:: n_e(:), phi_old(:) + REAL(8), ALLOCATABLE, SAVE:: n_e(:), phi_old(:) INTEGER:: k EXTERNAL:: dgetrs @@ -193,21 +203,19 @@ MODULE moduleEM ALLOCATE(tempF(1:mesh%numNodes)) ALLOCATE(n_e(1:mesh%numNodes)) ALLOCATE(phi_old(1:mesh%numNodes)) - DO n = 1, mesh%numNodes - tempF(n) = mesh%nodes(n)%obj%emData%phi - - END DO - n_e = BoltzmannElectron(tempF, mesh%numNodes) - !$OMP END SINGLE - + n_e = 0.D0 CALL assembleSourceVector(tempF, n_e) + !$OMP END SINGLE + !$OMP SINGLE - DO k = 1, 5 + DO k = 1, 10 phi_old = tempF CALL dgetrs('N', mesh%numNodes, 1, mesh%K, mesh%numNodes, & mesh%IPIV, tempF, mesh%numNodes, info) + PRINT *, MAXVAL(n_e), MINVAL(n_e) + PRINT *, MAXVAL(tempF), MINVAL(tempF) PRINT*, k, "diff = ", MAXVAL(ABS(tempF - phi_old)) n_e = BoltzmannElectron(tempF, mesh%numNodes) CALL assembleSourceVector(tempF, n_e) @@ -232,7 +240,7 @@ MODULE moduleEM END IF !$OMP SINGLE - DEALLOCATE(tempF) + DEALLOCATE(tempF, n_e, phi_old) !$OMP END SINGLE END SUBROUTINE solveElecFieldBoltzmann From c6470819e852aa619307ed802581ff76140eec9c Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 26 Jun 2024 15:11:01 +0200 Subject: [PATCH 135/203] Issue with calculating coordinates in quads The third coordinate (unused) was causing some errors when it was becomming too large. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 10 +++++++--- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 12 +++++++----- 2 files changed, 14 insertions(+), 8 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4341cb0..7bc94ce 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -318,6 +318,8 @@ MODULE moduleMesh2DCart INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) + fPsi = 0.D0 + fPsi = (/ (1.D0 - Xi(1)) * (1.D0 - Xi(2)), & (1.D0 + Xi(1)) * (1.D0 - Xi(2)), & (1.D0 + Xi(1)) * (1.D0 + Xi(2)), & @@ -508,15 +510,15 @@ MODULE moduleMesh2DCart conv = 1.D0 XiO = 0.D0 + f(3) = 0.D0 DO WHILE(conv > 1.D-4) dPsi = self%dPsi(XiO, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) fPsi = self%fPsi(XiO, 4) - f = (/ DOT_PRODUCT(fPsi,self%x), & - DOT_PRODUCT(fPsi,self%y), & - 0.D0 /) - r + f(1:2) = (/ DOT_PRODUCT(fPsi,self%x), & + DOT_PRODUCT(fPsi,self%y) /) - r(1:2) Xi = XiO - MATMUL(invJ, f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi @@ -569,6 +571,7 @@ MODULE moduleMesh2DCart pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) fPsi = self%fPsi(Xi, 4) + !Compute total volume of the cell self%volume = detJ*4.D0 !Compute volume per node @@ -762,6 +765,7 @@ MODULE moduleMesh2DCart pDer = self%partialDer(3, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) + localK = localK + MATMUL(TRANSPOSE(MATMUL(invJ,dPsi)),MATMUL(invJ,dPsi))*wTria(l)/detJ END DO diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index d4baedd..dfa3035 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -326,6 +326,8 @@ MODULE moduleMesh2DCyl INTEGER, INTENT(in):: nNodes REAL(8):: fPsi(1:nNodes) + fPsi = 0.D0 + fPsi = (/ (1.D0 - Xi(1)) * (1.D0 - Xi(2)), & (1.D0 + Xi(1)) * (1.D0 - Xi(2)), & (1.D0 + Xi(1)) * (1.D0 + Xi(2)), & @@ -496,7 +498,7 @@ MODULE moduleMesh2DCyl END FUNCTION elemFQuad - !Checks if Xi is inside the element + !Check if Xi is inside the element PURE FUNCTION insideQuad(Xi) RESULT(ins) IMPLICIT NONE @@ -524,15 +526,15 @@ MODULE moduleMesh2DCyl conv = 1.D0 XiO = 0.D0 + f(3) = 0.D0 DO WHILE(conv > 1.D-4) dPsi = self%dPsi(XiO, 4) pDer = self%partialDer(4, dPsi) detJ = self%detJac(pDer) invJ = self%invJac(pDer) fPsi = self%fPsi(XiO, 4) - f = (/ DOT_PRODUCT(fPsi,self%z), & - DOT_PRODUCT(fPsi,self%r), & - 0.D0 /) - r + f(1:2) = (/ DOT_PRODUCT(fPsi,self%z), & + DOT_PRODUCT(fPsi,self%r) /) - r(1:2) Xi = XiO - MATMUL(invJ, f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi @@ -553,7 +555,7 @@ MODULE moduleMesh2DCyl XiArray = (/ -Xi(2), Xi(1), Xi(2), -Xi(1) /) nextInt = MAXLOC(XiArray,1) - !Selects the higher value of directions and searches in that direction + !Select the higher value of directions and searches in that direction NULLIFY(neighbourElement) SELECT CASE (nextInt) CASE (1) From 6389c8ba2d090db7cc4b29f4c775f4c18f8395d9 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 27 Jun 2024 12:08:08 +0200 Subject: [PATCH 136/203] Quick because food Cartesian fixed now --- src/modules/common/moduleRandom.f90 | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index cd553a8..3fbf5c8 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -73,10 +73,21 @@ MODULE moduleRandom REAL(8), INTENT(in):: cumWeight(1:) REAL(8), INTENT(in):: sumWeight REAL(8):: rnd0b - INTEGER:: rnd + INTEGER:: rnd, i rnd0b = random(0.D0, sumWeight) - rnd = MINLOC(DABS(rnd0b - cumWeight), 1) + i = 1 + DO + IF (rnd0b <= cumWeight(i)) THEN + rnd = i + EXIT + + ELSE + i = i +1 + + END IF + END DO + ! rnd = MINLOC(DABS(rnd0b - cumWeight), 1) END FUNCTION randomWeighted From 5386114d15114574807f88cac4808924537e3c10 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 29 Jun 2024 14:58:48 +0200 Subject: [PATCH 137/203] Cylindrical injection working better Seems things are a bit better. Still, more cases are needed and still not perfectly uniform... --- src/modules/common/moduleRandom.f90 | 4 +-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 37 +++++++++++++--------- 2 files changed, 24 insertions(+), 17 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index 3fbf5c8..0237de1 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -75,10 +75,10 @@ MODULE moduleRandom REAL(8):: rnd0b INTEGER:: rnd, i - rnd0b = random(0.D0, sumWeight) + rnd0b = random() i = 1 DO - IF (rnd0b <= cumWeight(i)) THEN + IF (rnd0b <= cumWeight(i)/sumWeight) THEN rnd = i EXIT diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index dfa3035..dbe182f 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -163,7 +163,7 @@ MODULE moduleMesh2DCyl r2 = self%n2%getCoordinates() self%z = (/r1(1), r2(1)/) self%r = (/r1(2), r2(2)/) - self%weight = r2(2)**2 - r1(2)**2 + self%weight = DABS(self%r(2)**2 - self%r(1)**2) !Normal vector self%normal = (/ -(self%r(2)-self%r(1)), & self%z(2)-self%z(1) , & @@ -223,21 +223,12 @@ MODULE moduleMesh2DCyl CLASS(meshEdge2DCyl), INTENT(in):: self REAL(8):: rnd REAL(8):: r(1:3) - REAL(8):: dr, dz + REAL(8):: p1(1:2), p2(1:2) rnd = random() - dr = self%r(2) - self%r(1) - dz = self%z(2) - self%z(1) - IF (dr /= 0.D0) THEN - r(2) = dr * DSQRT(rnd) + self%r(1) - r(1) = dz * (r(2) - self%r(1))/dr + self%z(1) - - ELSE - r(2) = self%r(1) - r(1) = dz * rnd + self%z(1) - - END IF - + p1 = (/self%z(1), self%r(1) /) + p2 = (/self%z(2), self%r(2) /) + r(1:2) = (1.D0 - rnd)*p1 + rnd*p2 r(3) = 0.D0 END FUNCTION randPosEdge @@ -572,7 +563,7 @@ MODULE moduleMesh2DCyl !Compute element volume PURE SUBROUTINE volumeQuad(self) - USE moduleConstParam, ONLY: PI8 + USE moduleConstParam, ONLY: PI, PI8 IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(inout):: self @@ -596,15 +587,31 @@ MODULE moduleMesh2DCyl Xi = (/-5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 + IF (self%r(1) == 0.D0) THEN + self%n1%v = self%n1%v * PI / 2.D0 + + END IF Xi = (/ 5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 + IF (self%r(2) == 0.D0) THEN + self%n2%v = self%n2%v * PI / 2.D0 + + END IF Xi = (/ 5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 + IF (self%r(3) == 0.D0) THEN + self%n3%v = self%n3%v * PI / 2.D0 + + END IF Xi = (/-5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 + IF (self%r(4) == 0.D0) THEN + self%n4%v = self%n4%v * PI / 2.D0 + + END IF END SUBROUTINE volumeQuad From 4cadfe536781bd7b901e7adaf8a361be7ebc9c13 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 29 Jun 2024 22:22:10 +0200 Subject: [PATCH 138/203] Seems are a bit better There is still less density in the axis. I don't find a reason why. There must be a modification to the weight... --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 24 ++++------------------ src/modules/moduleInject.f90 | 5 ++--- 2 files changed, 6 insertions(+), 23 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index dbe182f..4991b7e 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -586,32 +586,16 @@ MODULE moduleMesh2DCyl !Computes volume per node Xi = (/-5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 - IF (self%r(1) == 0.D0) THEN - self%n1%v = self%n1%v * PI / 2.D0 - - END IF + self%n1%v = self%n1%v + fPsi(1)*self%volume Xi = (/ 5.D-1, -5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 - IF (self%r(2) == 0.D0) THEN - self%n2%v = self%n2%v * PI / 2.D0 - - END IF + self%n2%v = self%n2%v + fPsi(2)*self%volume Xi = (/ 5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 - IF (self%r(3) == 0.D0) THEN - self%n3%v = self%n3%v * PI / 2.D0 - - END IF + self%n3%v = self%n3%v + fPsi(3)*self%volume Xi = (/-5.D-1, 5.D-1, 0.D0/) r = self%gatherF(Xi, 4, self%r) - self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 - IF (self%r(4) == 0.D0) THEN - self%n4%v = self%n4%v * PI / 2.D0 - - END IF + self%n4%v = self%n4%v + fPsi(4)*self%volume END SUBROUTINE volumeQuad diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index b37e021..fb01f75 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -306,8 +306,6 @@ MODULE moduleInject nMin = nMin + 1 nMax = nMin + self%nParticles - 1 - !Assign weight to particle. - partInj(nMin:nMax)%weight = self%species%weight !Particle is considered to be outside the domain partInj(nMin:nMax)%n_in = .FALSE. !$OMP END SINGLE @@ -315,10 +313,11 @@ MODULE moduleInject !$OMP DO DO n = nMin, nMax randomX = randomWeighted(self%cumWeight, self%sumWeight) - randomEdge => mesh%edges(self%edges(randomX))%obj !Random position in edge partInj(n)%r = randomEdge%randPos() + !Assign weight to particle. + partInj(n)%weight = self%species%weight !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%cell = randomEdge%e1%n From cd7bf66bd84213b6cd385dbe84fb7edd6cd0a5eb Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 30 Jun 2024 10:36:36 +0200 Subject: [PATCH 139/203] A workaround The random position for edges in the axis is corrected so that there is a more uniform charge density in the axis. Still, things are not perfect and this is something to really look into in the future. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 4991b7e..9278a27 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -226,6 +226,12 @@ MODULE moduleMesh2DCyl REAL(8):: p1(1:2), p2(1:2) rnd = random() + IF (self%r(1) == 0.D0 .OR. & + self%r(2) == 0.D0) THEN + rnd = rnd**(1.D0/3.D0) + + END IF + p1 = (/self%z(1), self%r(1) /) p2 = (/self%z(2), self%r(2) /) r(1:2) = (1.D0 - rnd)*p1 + rnd*p2 From 59a322a4c7df17c6de8d507aef35588eae28935d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 30 Jun 2024 10:46:05 +0200 Subject: [PATCH 140/203] Clean up Fixing calculation of node volumes. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 9 +-------- 1 file changed, 1 insertion(+), 8 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 9278a27..df01782 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -580,6 +580,7 @@ MODULE moduleMesh2DCyl REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) self%volume = 0.D0 + !2D 1 point Gauss Quad Integral Xi = 0.D0 dPsi = self%dPsi(Xi, 4) @@ -590,17 +591,9 @@ MODULE moduleMesh2DCyl !Computes total volume of the cell self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node - Xi = (/-5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) self%n1%v = self%n1%v + fPsi(1)*self%volume - Xi = (/ 5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) self%n2%v = self%n2%v + fPsi(2)*self%volume - Xi = (/ 5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) self%n3%v = self%n3%v + fPsi(3)*self%volume - Xi = (/-5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) self%n4%v = self%n4%v + fPsi(4)*self%volume END SUBROUTINE volumeQuad From e277fe6ddb8526ec2c1ae8fedccd4a777c178c0d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 30 Jun 2024 08:48:51 +0000 Subject: [PATCH 141/203] PI is no needed here --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index df01782..7bae6b3 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -569,7 +569,7 @@ MODULE moduleMesh2DCyl !Compute element volume PURE SUBROUTINE volumeQuad(self) - USE moduleConstParam, ONLY: PI, PI8 + USE moduleConstParam, ONLY: PI8 IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(inout):: self From 6b78ae373894f0c72d746f03f4637d6c2ef7d006 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 3 Jul 2024 22:04:28 +0200 Subject: [PATCH 142/203] Added an adhoc factor to correct injection I think that the volume of the nodes is not being well calculated, maybe we need a better volume calculation for this, using multiple points (as it is done for K) --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 29 ++++++++++++++++++---- 1 file changed, 24 insertions(+), 5 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 7bae6b3..90773e5 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -226,11 +226,11 @@ MODULE moduleMesh2DCyl REAL(8):: p1(1:2), p2(1:2) rnd = random() - IF (self%r(1) == 0.D0 .OR. & - self%r(2) == 0.D0) THEN - rnd = rnd**(1.D0/3.D0) - - END IF + ! IF (self%r(1) == 0.D0 .OR. & + ! self%r(2) == 0.D0) THEN + ! rnd = rnd**(1.D0/3.D0) + ! + ! END IF p1 = (/self%z(1), self%r(1) /) p2 = (/self%z(2), self%r(2) /) @@ -578,6 +578,9 @@ MODULE moduleMesh2DCyl REAL(8):: detJ REAL(8):: fPsi(1:4) REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) + REAL(8):: nodeR(1:3) + REAL(8), PARAMETER:: correction = 0.81D0 !TODO: No idea why this is needed, this needs more attention. Probably a better + ! calculation of the volume is needed. self%volume = 0.D0 @@ -592,9 +595,25 @@ MODULE moduleMesh2DCyl self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node self%n1%v = self%n1%v + fPsi(1)*self%volume + nodeR = self%n1%getCoordinates() + if (nodeR(2) == 0.D0) then + self%n1%v = self%n1%v * correction + end if self%n2%v = self%n2%v + fPsi(2)*self%volume + nodeR = self%n2%getCoordinates() + if (nodeR(2) == 0.D0) then + self%n2%v = self%n2%v * correction + end if self%n3%v = self%n3%v + fPsi(3)*self%volume + nodeR = self%n3%getCoordinates() + if (nodeR(2) == 0.D0) then + self%n3%v = self%n3%v * correction + end if self%n4%v = self%n4%v + fPsi(4)*self%volume + nodeR = self%n4%getCoordinates() + if (nodeR(2) == 0.D0) then + self%n4%v = self%n4%v * correction + end if END SUBROUTINE volumeQuad From b972120ed51689b9ef171f3fd2af8966d68ec81b Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 4 Jul 2024 10:56:13 +0200 Subject: [PATCH 143/203] Switching to variable particle weight I have to change the injection of particles. Each edge will receive a similar number of particles and their weight will change to have a constant density based on the geometry. Still testing. --- src/modules/common/moduleRandom.f90 | 4 +-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 36 ++++++++-------------- src/modules/moduleInject.f90 | 5 +-- 3 files changed, 18 insertions(+), 27 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index 0237de1..dacbf9c 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -40,10 +40,10 @@ MODULE moduleRandom INTEGER:: rnd REAL(8):: rnd01 - rnd = 0.D0 + rnd = 0 CALL RANDOM_NUMBER(rnd01) - rnd = INT(REAL(b - a) * rnd01) + 1 + rnd = NINT(REAL(b - a) * rnd01) + a END FUNCTION randomIntAB diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 90773e5..2d2d6c6 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -235,6 +235,7 @@ MODULE moduleMesh2DCyl p1 = (/self%z(1), self%r(1) /) p2 = (/self%z(2), self%r(2) /) r(1:2) = (1.D0 - rnd)*p1 + rnd*p2 + r(2) = (self%r(2) + self%r(1)) * 0.5D0 r(3) = 0.D0 END FUNCTION randPosEdge @@ -578,9 +579,6 @@ MODULE moduleMesh2DCyl REAL(8):: detJ REAL(8):: fPsi(1:4) REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) - REAL(8):: nodeR(1:3) - REAL(8), PARAMETER:: correction = 0.81D0 !TODO: No idea why this is needed, this needs more attention. Probably a better - ! calculation of the volume is needed. self%volume = 0.D0 @@ -594,26 +592,18 @@ MODULE moduleMesh2DCyl !Computes total volume of the cell self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node - self%n1%v = self%n1%v + fPsi(1)*self%volume - nodeR = self%n1%getCoordinates() - if (nodeR(2) == 0.D0) then - self%n1%v = self%n1%v * correction - end if - self%n2%v = self%n2%v + fPsi(2)*self%volume - nodeR = self%n2%getCoordinates() - if (nodeR(2) == 0.D0) then - self%n2%v = self%n2%v * correction - end if - self%n3%v = self%n3%v + fPsi(3)*self%volume - nodeR = self%n3%getCoordinates() - if (nodeR(2) == 0.D0) then - self%n3%v = self%n3%v * correction - end if - self%n4%v = self%n4%v + fPsi(4)*self%volume - nodeR = self%n4%getCoordinates() - if (nodeR(2) == 0.D0) then - self%n4%v = self%n4%v * correction - end if + Xi = (/-5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 + Xi = (/ 5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 + Xi = (/ 5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 + Xi = (/-5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 END SUBROUTINE volumeQuad diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index fb01f75..57e3131 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -283,6 +283,7 @@ MODULE moduleInject USE moduleMesh USE moduleRandom USE moduleErrors + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(injectGeneric), INTENT(in):: self @@ -312,12 +313,12 @@ MODULE moduleInject !$OMP DO DO n = nMin, nMax - randomX = randomWeighted(self%cumWeight, self%sumWeight) + randomX = random(1, self%nEdges) randomEdge => mesh%edges(self%edges(randomX))%obj !Random position in edge partInj(n)%r = randomEdge%randPos() !Assign weight to particle. - partInj(n)%weight = self%species%weight + partInj(n)%weight = self%species%weight * sqrt(partInj(n)%r(2) / (0.1D0*L_ref)) !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%cell = randomEdge%e1%n From 6b5ac16e4b0f0c6797c9ea47b1ec00f4c82c5eb4 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 6 Jul 2024 10:12:03 +0200 Subject: [PATCH 144/203] Still working on it No uniform density yet... --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 1 - src/modules/moduleInject.f90 | 2 +- 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 2d2d6c6..544c8e1 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -235,7 +235,6 @@ MODULE moduleMesh2DCyl p1 = (/self%z(1), self%r(1) /) p2 = (/self%z(2), self%r(2) /) r(1:2) = (1.D0 - rnd)*p1 + rnd*p2 - r(2) = (self%r(2) + self%r(1)) * 0.5D0 r(3) = 0.D0 END FUNCTION randPosEdge diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 57e3131..2dba3de 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -318,7 +318,7 @@ MODULE moduleInject !Random position in edge partInj(n)%r = randomEdge%randPos() !Assign weight to particle. - partInj(n)%weight = self%species%weight * sqrt(partInj(n)%r(2) / (0.1D0*L_ref)) + partInj(n)%weight = self%species%weight * sqrt(partInj(n)%r(2) / (0.1D0/L_ref)) !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%cell = randomEdge%e1%n From 626e970d8257f56641278e1b05999a145ff85d53 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 6 Jul 2024 19:14:44 +0200 Subject: [PATCH 145/203] Some progress Fixed an issue with random integer numbers. Cylindrical coordinates are not perfect yet: - Box (cylinder) with initial constant density loses particles at r = 0 - Injection density still low in r = 0 --- src/modules/common/moduleRandom.f90 | 2 +- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 5 ----- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 14 ++++++++++++++ src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 | 14 ++++++++++++++ src/modules/moduleInject.f90 | 4 ++-- 5 files changed, 31 insertions(+), 8 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index dacbf9c..ae5c548 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -43,7 +43,7 @@ MODULE moduleRandom rnd = 0 CALL RANDOM_NUMBER(rnd01) - rnd = NINT(REAL(b - a) * rnd01) + a + rnd = a + FLOOR((b+1-a)*rnd01) END FUNCTION randomIntAB diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 544c8e1..426846d 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -226,11 +226,6 @@ MODULE moduleMesh2DCyl REAL(8):: p1(1:2), p2(1:2) rnd = random() - ! IF (self%r(1) == 0.D0 .OR. & - ! self%r(2) == 0.D0) THEN - ! rnd = rnd**(1.D0/3.D0) - ! - ! END IF p1 = (/self%z(1), self%r(1) /) p2 = (/self%z(2), self%r(2) /) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 0df1289..84b8535 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -296,6 +296,20 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) + ! Adjust node volume at axis + SELECT CASE(self%geometry) + CASE("Cyl") + DO n = 1, numNodes + r = self%nodes(n)%obj%getCoordinates() + IF (r(2) == 0.D0) THEN + self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 + + END IF + + END DO + + END SELECT + !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 763517f..eb6af79 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -495,6 +495,20 @@ MODULE moduleMeshInputVTU END SELECT END DO + + ! Adjust node volume at axis + SELECT CASE(self%geometry) + CASE("Cyl") + DO n = 1, numNodes + r = self%nodes(n)%obj%getCoordinates() + IF (r(2) == 0.D0) THEN + self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 + + END IF + + END DO + + END SELECT !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 2dba3de..69a3dd6 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -313,12 +313,12 @@ MODULE moduleInject !$OMP DO DO n = nMin, nMax - randomX = random(1, self%nEdges) + randomX = randomWeighted(self%cumWeight, self%sumWeight) randomEdge => mesh%edges(self%edges(randomX))%obj !Random position in edge partInj(n)%r = randomEdge%randPos() !Assign weight to particle. - partInj(n)%weight = self%species%weight * sqrt(partInj(n)%r(2) / (0.1D0/L_ref)) + partInj(n)%weight = self%species%weight !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%cell = randomEdge%e1%n From 5bc064d0183097c83f57b2299c99a3449baebc6d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 7 Jul 2024 11:53:56 +0200 Subject: [PATCH 146/203] Some parallel issues Forgot to check Gmsh2 format with new changes. Cartesian coordinates were not calculating things properly. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 3 ++- src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 7bc94ce..4bf1f32 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -556,6 +556,7 @@ MODULE moduleMesh2DCart !Compute element volume PURE SUBROUTINE volumeQuad(self) + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(inout):: self @@ -573,7 +574,7 @@ MODULE moduleMesh2DCart fPsi = self%fPsi(Xi, 4) !Compute total volume of the cell - self%volume = detJ*4.D0 + self%volume = detJ*4.D0/L_ref !Compute volume per node self%n1%v = self%n1%v + fPsi(1)*self%volume self%n2%v = self%n2%v + fPsi(2)*self%volume diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 84b8535..2c02358 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -299,7 +299,7 @@ MODULE moduleMeshInputGmsh2 ! Adjust node volume at axis SELECT CASE(self%geometry) CASE("Cyl") - DO n = 1, numNodes + DO n = 1, self%numNodes r = self%nodes(n)%obj%getCoordinates() IF (r(2) == 0.D0) THEN self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 From 1f2ec8d82f3ee4fa70304b707fd7382e75ba4139 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 7 Jul 2024 14:37:34 +0200 Subject: [PATCH 147/203] New option for initial distribution of species The number of particles per cell can be defined when giving an initial distribution fora species. If not, the typical method of using the species weight is used. This is particularly useful for cylindrical coordinates in which very little particles might end up in the axis if a constant weight is used. --- doc/user-manual/bibliography.bib.sav | 77 +++++++++++++++++++++++++++ doc/user-manual/fpakc_UserManual.pdf | Bin 185817 -> 186028 bytes doc/user-manual/fpakc_UserManual.tex | 14 +++-- src/modules/init/moduleInput.f90 | 14 +++-- 4 files changed, 97 insertions(+), 8 deletions(-) create mode 100644 doc/user-manual/bibliography.bib.sav diff --git a/doc/user-manual/bibliography.bib.sav b/doc/user-manual/bibliography.bib.sav new file mode 100644 index 0000000..b8b6483 --- /dev/null +++ b/doc/user-manual/bibliography.bib.sav @@ -0,0 +1,77 @@ +% Encoding: UTF-8 + +@InProceedings{boris1970relativistic, + author = {Boris, Jay P}, + booktitle = {Proc. Fourth Conf. Num. Sim. Plasmas}, + title = {Relativistic plasma simulation-optimization of a hybrid code}, + year = {1970}, + pages = {3--67}, +} + +@article{higginson2020corrected, + title={A corrected method for Coulomb scattering in arbitrarily weighted particle-in-cell plasma simulations}, + author={Higginson, Drew Pitney and Holod, Ihor and Link, Anthony}, + journal={Journal of Computational Physics}, + volume={413}, + pages={109450}, + year={2020}, + publisher={Elsevier} +} + +@Misc{gfortranURL, + author = {GNU Project}, + title = {gfortran - the GNU Fortran compiler}, + howpublished = {\url{https://gcc.gnu.org/wiki/GFortran}}, +} + +@Misc{ifortURL, + author = {Intel\textsuperscript{\textregistered}}, + title = {Intel\textsuperscript{\textregistered} Fortran Compiler}, + howpublished = {\url{https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html}}, +} + +@Misc{openblasURL, + title = {OpenBLAS, an optimized BLAS library}, + howpublished = {\url{https://www.openblas.net/}}, +} + +@Misc{jsonfortranURL, + title = {JSON-Fortran}, + howpublished = {\url{https://github.com/jacobwilliams/json-fortran}}, +} + +@Misc{jsonURL, + title = {JSON, JavaScript Object Notation}, + howpublished = {\url{https://www.json.org/json-en.html}}, +} + +@Misc{gmshURL, + author = {Christophe Geuzaine and Jean-François Remacle}, + title = {Gmsh}, + howpublished = {\url{https://gmsh.info/}}, +} + +@Article{welford1962note, + author = {Welford, BP}, + journal = {Technometrics}, + title = {Note on a method for calculating corrected sums of squares and products}, + year = {1962}, + number = {3}, + pages = {419--420}, + volume = {4}, + publisher = {Taylor \& Francis}, +} + +@Article{sherlock2008monte, + author = {Sherlock, Mark}, + journal = {Journal of Computational Physics}, + title = {A Monte-Carlo method for Coulomb collisions in hybrid plasma models}, + year = {2008}, + number = {4}, + pages = {2286--2292}, + volume = {227}, + groups = {Particle-in-cell}, + publisher = {Elsevier}, +} + +@Comment{jabref-meta: databaseType:bibtex;} diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 2453bb7a03988944220d03dbe093216dd6203ec1..37d80141e4c7e64c2cb808e7e072b95019a502ae 100644 GIT binary patch delta 52973 zcmZU3Q;aT5v}N12aoVE~-F zpDRGmx&J#~3csjHZRyWRZ*{_Qm!X{G+fh>_6X2C&?52MIXJ>0Hkv1cj(0+`AgQ4r6 zediibzU93e`$v8+V8 zl9!2GgcfaV62HiU9HLOsP(_!J)9kQPIY_EOb9+L#AyO_XHA(a=9~R=8ShE{Pkg?K~ z4bY^tu9MuIm7;}aP{7ICqb!P8DuY&J+>Xt>nwBh6|p2NG1$J z-Wk<10Q`3%&*%ixX(zM)%{tmiXeT8CIy8Yds1uX^?Wmcf)R{FCYdRD7AIPEYo~ejX zKj@ab|L4p(9!Frk?(jJCd_t=_T~lbRAOM_UAW@`sLz3VF?%sPEO83RMg(HU=F){%b zirHXEVKq9QIK?vIF%@>RW*v;duXFNvze^Qb;?M?x;W%YV38jzdoD63yR`*!@%Q(!J>XTa0$w#cgo0fH~tV+~&-7DUX&Evyc^40UtGzLUb!s<>lRn z4o%U)c_{dj$~E{@$E|8yR4}Mk1RyR@am+fexNY0nh(aARJq~HOJN!%VJlXcCHS3d7 zkXn}2ta|4p4;=<{&cqS*Vnjg}`^wF_$rJOSOBz0lN6Cz74pr{4Qiu|(oFhBJB0N9@ z&4T}|M@mjZ9yc)wZFC;a-Fpuohg%l1`XXjaWF?1Qh|pQolWk*#$0|h10hkBCLi<%o 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zU}g;M7yRq@5MYpuJkXwlVRFDE01CY!a|0?3cm?W)90Z9(%1Ma-zbg#MB_zmQ-Ar8E Wyj(2qlLL?n%u305c;wXN$^Q>tDPl7K diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index daf42c3..fd48ed2 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -708,11 +708,15 @@ make \begin{itemize} \item \textbf{species}: Character. Name of species as defined in the object \textbf{species}. - \item \textbf{file}: Character. - Output file from previous run used as an initial state for the species. - The file format must be the same as in \textbf{geometry.meshType} - Initial particles are assumed to have a Maxwellian distribution. - File must be located at \textbf{output.path}. + \item \textbf{file}: Character. + Output file from previous run used as an initial state for the species. + The file format must be the same as in \textbf{geometry.meshType} + Initial particles are assumed to have a Maxwellian distribution. + File must be located at \textbf{output.path}. + \item \textbf{particlesPerCell}: Integer. + Optional. + Initial number of particles per cell. + If not, the number of particles per cell will be assigned based on the species weight and the cell volume. \end{itemize} \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 7a1b206..e30bf97 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -324,7 +324,8 @@ MODULE moduleInput REAL(8):: densityCen !Mean velocity and temperature at particle position REAL(8):: velocityXi(1:3), temperatureXi - INTEGER:: nNewPart = 0.D0 + INTEGER:: nNewPart = 0 + REAL(8):: weight = 0.D0 CLASS(meshCell), POINTER:: cell TYPE(particle), POINTER:: partNew REAL(8):: vTh @@ -343,6 +344,9 @@ MODULE moduleInput !Reads node values at the nodes filename = path // spFile CALL mesh%readInitial(filename, density, velocity, temperature) + !Check if initial number of particles is given + CALL config%get(object // '.particlesPerCell', nNewPart, found) + !For each volume in the node, create corresponding particles DO e = 1, mesh%numCells !Scale variables @@ -355,7 +359,11 @@ MODULE moduleInput densityCen = mesh%cells(e)%obj%gatherF((/ 0.D0, 0.D0, 0.D0 /), nNodes, sourceScalar) !Calculate number of particles - nNewPart = INT(densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) + IF (.NOT. found) THEN + nNewPart = FLOOR(densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / species(sp)%obj%weight) + + END IF + weight = densityCen * (mesh%cells(e)%obj%volume*Vol_ref) / REAL(nNewPart) !Allocate new particles DO p = 1, nNewPart @@ -392,7 +400,7 @@ MODULE moduleInput partNew%n_in = .TRUE. - partNew%weight = species(sp)%obj%weight + partNew%weight = weight !Assign particle to temporal list of particles CALL partInitial%add(partNew) From fa23f9481abfe946fb7cd9f6d4866550176733f5 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 7 Jul 2024 14:40:26 +0200 Subject: [PATCH 148/203] Issue with bibliography Backup files are properly ignored now. --- doc/user-manual/.gitignore | 1 + doc/user-manual/bibliography.bib.sav | 77 ---------------------------- 2 files changed, 1 insertion(+), 77 deletions(-) delete mode 100644 doc/user-manual/bibliography.bib.sav diff --git a/doc/user-manual/.gitignore b/doc/user-manual/.gitignore index b2ba4d5..a8475d7 100644 --- a/doc/user-manual/.gitignore +++ b/doc/user-manual/.gitignore @@ -6,6 +6,7 @@ *.aux *.ps bibliography.bib.bak +bibliography.bib.sav *.bbl *.blg *.out diff --git a/doc/user-manual/bibliography.bib.sav b/doc/user-manual/bibliography.bib.sav deleted file mode 100644 index b8b6483..0000000 --- a/doc/user-manual/bibliography.bib.sav +++ /dev/null @@ -1,77 +0,0 @@ -% Encoding: UTF-8 - -@InProceedings{boris1970relativistic, - author = {Boris, Jay P}, - booktitle = {Proc. Fourth Conf. Num. Sim. Plasmas}, - title = {Relativistic plasma simulation-optimization of a hybrid code}, - year = {1970}, - pages = {3--67}, -} - -@article{higginson2020corrected, - title={A corrected method for Coulomb scattering in arbitrarily weighted particle-in-cell plasma simulations}, - author={Higginson, Drew Pitney and Holod, Ihor and Link, Anthony}, - journal={Journal of Computational Physics}, - volume={413}, - pages={109450}, - year={2020}, - publisher={Elsevier} -} - -@Misc{gfortranURL, - author = {GNU Project}, - title = {gfortran - the GNU Fortran compiler}, - howpublished = {\url{https://gcc.gnu.org/wiki/GFortran}}, -} - -@Misc{ifortURL, - author = {Intel\textsuperscript{\textregistered}}, - title = {Intel\textsuperscript{\textregistered} Fortran Compiler}, - howpublished = {\url{https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html}}, -} - -@Misc{openblasURL, - title = {OpenBLAS, an optimized BLAS library}, - howpublished = {\url{https://www.openblas.net/}}, -} - -@Misc{jsonfortranURL, - title = {JSON-Fortran}, - howpublished = {\url{https://github.com/jacobwilliams/json-fortran}}, -} - -@Misc{jsonURL, - title = {JSON, JavaScript Object Notation}, - howpublished = {\url{https://www.json.org/json-en.html}}, -} - -@Misc{gmshURL, - author = {Christophe Geuzaine and Jean-François Remacle}, - title = {Gmsh}, - howpublished = {\url{https://gmsh.info/}}, -} - -@Article{welford1962note, - author = {Welford, BP}, - journal = {Technometrics}, - title = {Note on a method for calculating corrected sums of squares and products}, - year = {1962}, - number = {3}, - pages = {419--420}, - volume = {4}, - publisher = {Taylor \& Francis}, -} - -@Article{sherlock2008monte, - author = {Sherlock, Mark}, - journal = {Journal of Computational Physics}, - title = {A Monte-Carlo method for Coulomb collisions in hybrid plasma models}, - year = {2008}, - number = {4}, - pages = {2286--2292}, - volume = {227}, - groups = {Particle-in-cell}, - publisher = {Elsevier}, -} - -@Comment{jabref-meta: databaseType:bibtex;} From b36f9c26152339aef154402ebabce74f4075d866 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 9 Jul 2024 17:49:42 +0200 Subject: [PATCH 149/203] Shifting towards constant number of particles per edge So now each edge has the same number of particles and the weight of each particle is calculated based on the surface of each edge compared to the total one. Only in 2DCyl, still to extend to other geometries. Not perfect constant density, but the issue might be the node volume. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 27 ++++++++++--------- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 14 ---------- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 26 +++++++++--------- src/modules/mesh/moduleMesh.f90 | 2 ++ src/modules/moduleInject.f90 | 16 +++++------ 5 files changed, 36 insertions(+), 49 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 426846d..3f88902 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -144,6 +144,7 @@ MODULE moduleMesh2DCyl USE moduleSpecies USE moduleBoundary USE moduleErrors + USE moduleConstParam, ONLY: PI IMPLICIT NONE CLASS(meshEdge2DCyl), INTENT(out):: self @@ -163,7 +164,15 @@ MODULE moduleMesh2DCyl r2 = self%n2%getCoordinates() self%z = (/r1(1), r2(1)/) self%r = (/r1(2), r2(2)/) - self%weight = DABS(self%r(2)**2 - self%r(1)**2) + !Edge surface + IF (self%z(2) /= self%z(1)) THEN + self%surface = ABS(self%r(2) + self%r(1))*ABS(self%z(2) - self%z(1)) + + ELSE + self%surface = ABS(self%r(2)**2 - self%r(1)**2) + + END IF + self%surface = self%surface * PI !Normal vector self%normal = (/ -(self%r(2)-self%r(1)), & self%z(2)-self%z(1) , & @@ -586,18 +595,10 @@ MODULE moduleMesh2DCyl !Computes total volume of the cell self%volume = r*detJ*PI8 !4*2*pi !Computes volume per node - Xi = (/-5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 - Xi = (/ 5.D-1, -5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 - Xi = (/ 5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 - Xi = (/-5.D-1, 5.D-1, 0.D0/) - r = self%gatherF(Xi, 4, self%r) - self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 + self%n1%v = self%n1%v + fPsi(1)*self%volume + self%n2%v = self%n2%v + fPsi(2)*self%volume + self%n3%v = self%n3%v + fPsi(3)*self%volume + self%n4%v = self%n4%v + fPsi(4)*self%volume END SUBROUTINE volumeQuad diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 2c02358..0df1289 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -296,20 +296,6 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) - ! Adjust node volume at axis - SELECT CASE(self%geometry) - CASE("Cyl") - DO n = 1, self%numNodes - r = self%nodes(n)%obj%getCoordinates() - IF (r(2) == 0.D0) THEN - self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 - - END IF - - END DO - - END SELECT - !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index eb6af79..309ca5c 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -496,19 +496,19 @@ MODULE moduleMeshInputVTU END DO - ! Adjust node volume at axis - SELECT CASE(self%geometry) - CASE("Cyl") - DO n = 1, numNodes - r = self%nodes(n)%obj%getCoordinates() - IF (r(2) == 0.D0) THEN - self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 - - END IF - - END DO - - END SELECT + ! ! Adjust node volume at axis + ! SELECT CASE(self%geometry) + ! CASE("Cyl") + ! DO n = 1, numNodes + ! r = self%nodes(n)%obj%getCoordinates() + ! IF (r(2) == 0.D0) THEN + ! self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 + ! + ! END IF + ! + ! END DO + ! + ! END SELECT !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index e96ff2a..af1cd36 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -78,6 +78,8 @@ MODULE moduleMesh REAL(8):: normal(1:3) !Weight for random injection of particles REAL(8):: weight = 1.D0 + ! Surface of edge + REAL(8):: surface = 0.D0 !Pointer to boundary type TYPE(boundaryCont), POINTER:: boundary !Array of functions for boundary conditions diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 69a3dd6..1d4e2e7 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -63,6 +63,7 @@ MODULE moduleInject INTEGER, ALLOCATABLE:: edges(:) !Array with edges REAL(8), ALLOCATABLE:: cumWeight(:) !Array of cummulative probability REAL(8):: sumWeight + REAL(8):: surface ! Total surface of injection TYPE(velDistCont):: v(1:3) !Velocity distribution function in each direction CONTAINS PROCEDURE, PASS:: init => initInject @@ -164,15 +165,12 @@ MODULE moduleInject END DO - !Calculates cumulative probability - ALLOCATE(self%cumWeight(1:self%nEdges)) - et = 1 - self%cumWeight(1) = mesh%edges(self%edges(et))%obj%weight - DO et = 2, self%nEdges - self%cumWeight(et) = mesh%edges(self%edges(et))%obj%weight + self%cumWeight(et-1) + !Calculates total area + self%surface = 0.D0 + DO et = 1, self%nEdges + self%surface = self%surface + mesh%edges(self%edges(et))%obj%surface END DO - self%sumWeight = self%cumWeight(self%nEdges) END SUBROUTINE initInject @@ -313,12 +311,12 @@ MODULE moduleInject !$OMP DO DO n = nMin, nMax - randomX = randomWeighted(self%cumWeight, self%sumWeight) + randomX = random(1, self%nEdges) randomEdge => mesh%edges(self%edges(randomX))%obj !Random position in edge partInj(n)%r = randomEdge%randPos() !Assign weight to particle. - partInj(n)%weight = self%species%weight + partInj(n)%weight = self%species%weight * randomEdge%surface / self%surface !Volume associated to the edge: IF (ASSOCIATED(randomEdge%e1)) THEN partInj(n)%cell = randomEdge%e1%n From 11831a973d86aacc0d8e44b01fd6ecc203300b1a Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 9 Jul 2024 21:25:30 +0200 Subject: [PATCH 150/203] Still not working Trying to have a very simple volume per node assuming a rectangle and the density at the axis it higher than it should (kinda like when using the more accurate volume calculation). This is still weird. I also suspect that the size of the first cell in the axis will also affect this... --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 20 +++++++++++++++----- 1 file changed, 15 insertions(+), 5 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 3f88902..bac265c 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -582,6 +582,8 @@ MODULE moduleMesh2DCyl REAL(8):: detJ REAL(8):: fPsi(1:4) REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) + REAL(8):: corrUp, corrDown + REAL(8):: dZ, r2, r1 self%volume = 0.D0 @@ -593,12 +595,20 @@ MODULE moduleMesh2DCyl fPsi = self%fPsi(Xi, 4) r = DOT_PRODUCT(fPsi,self%r) !Computes total volume of the cell - self%volume = r*detJ*PI8 !4*2*pi + self%volume = r*detJ*PI8 !2*pi * 4 (weight of 1 point 2D-Gaussian integral) !Computes volume per node - self%n1%v = self%n1%v + fPsi(1)*self%volume - self%n2%v = self%n2%v + fPsi(2)*self%volume - self%n3%v = self%n3%v + fPsi(3)*self%volume - self%n4%v = self%n4%v + fPsi(4)*self%volume + ! self%n1%v = self%n1%v + fPsi(1)*self%volume + ! self%n2%v = self%n2%v + fPsi(2)*self%volume + ! self%n3%v = self%n3%v + fPsi(3)*self%volume + ! self%n4%v = self%n4%v + fPsi(4)*self%volume + dZ = MAXVAL(self%z) - MIN(self%z) + r2 = MAXVAL(self%r) + r1 = MINVAL(self%r) + + self%n1%v = self%n1%v + dZ/2.D0 * PI * ( r2**2 - 3.0D0*r1**2 + 2.0D0*r2*r1)*0.25D0 + self%n2%v = self%n2%v + dZ/2.D0 * PI * ( r2**2 - 3.0D0*r1**2 + 2.0D0*r2*r1)*0.25D0 + self%n3%v = self%n3%v + dZ/2.D0 * PI * (3.0D0*r2**2 - r1**2 - 2.0D0*r2*r1)*0.25D0 + self%n4%v = self%n4%v + dZ/2.D0 * PI * (3.0D0*r2**2 - r1**2 - 2.0D0*r2*r1)*0.25D0 END SUBROUTINE volumeQuad From 667a2ecd93c8e0263252cca4aa3457ce95bfbe3e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 9 Jul 2024 21:57:32 +0200 Subject: [PATCH 151/203] So, no idea... Basically things do not work. I've added a correction to the node volume in the axis which gives okays results but still this is not perfect. I need to find a better way to do things. Also, I've noticed that the density changes with the size of the cells, which should not happen! I'vw to check this issue. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 24 ++++++++--------- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 14 ++++++++++ .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 26 +++++++++---------- 3 files changed, 39 insertions(+), 25 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index bac265c..166ae84 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -597,18 +597,18 @@ MODULE moduleMesh2DCyl !Computes total volume of the cell self%volume = r*detJ*PI8 !2*pi * 4 (weight of 1 point 2D-Gaussian integral) !Computes volume per node - ! self%n1%v = self%n1%v + fPsi(1)*self%volume - ! self%n2%v = self%n2%v + fPsi(2)*self%volume - ! self%n3%v = self%n3%v + fPsi(3)*self%volume - ! self%n4%v = self%n4%v + fPsi(4)*self%volume - dZ = MAXVAL(self%z) - MIN(self%z) - r2 = MAXVAL(self%r) - r1 = MINVAL(self%r) - - self%n1%v = self%n1%v + dZ/2.D0 * PI * ( r2**2 - 3.0D0*r1**2 + 2.0D0*r2*r1)*0.25D0 - self%n2%v = self%n2%v + dZ/2.D0 * PI * ( r2**2 - 3.0D0*r1**2 + 2.0D0*r2*r1)*0.25D0 - self%n3%v = self%n3%v + dZ/2.D0 * PI * (3.0D0*r2**2 - r1**2 - 2.0D0*r2*r1)*0.25D0 - self%n4%v = self%n4%v + dZ/2.D0 * PI * (3.0D0*r2**2 - r1**2 - 2.0D0*r2*r1)*0.25D0 + Xi = (/-5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 + Xi = (/ 5.D-1, -5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 + Xi = (/ 5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 + Xi = (/-5.D-1, 5.D-1, 0.D0/) + r = self%gatherF(Xi, 4, self%r) + self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 END SUBROUTINE volumeQuad diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 0df1289..11c3b13 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -296,6 +296,20 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) + ! Adjust node volume at axis + SELECT CASE(self%geometry) + CASE("Cyl") + DO n = 1, self%numNodes + r = self%nodes(n)%obj%getCoordinates() + IF (r(2) == 0.D0) THEN + self%nodes(n)%obj%v = self%nodes(n)%obj%v * 3.0D0/2.0D0 + + END IF + + END DO + + END SELECT + !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 309ca5c..ff0490a 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -496,19 +496,19 @@ MODULE moduleMeshInputVTU END DO - ! ! Adjust node volume at axis - ! SELECT CASE(self%geometry) - ! CASE("Cyl") - ! DO n = 1, numNodes - ! r = self%nodes(n)%obj%getCoordinates() - ! IF (r(2) == 0.D0) THEN - ! self%nodes(n)%obj%v = self%nodes(n)%obj%v * 2.0D0!2.0D0/3.0D0 - ! - ! END IF - ! - ! END DO - ! - ! END SELECT + ! Adjust node volume at axis + SELECT CASE(self%geometry) + CASE("Cyl") + DO n = 1, numNodes + r = self%nodes(n)%obj%getCoordinates() + IF (r(2) == 0.D0) THEN + self%nodes(n)%obj%v = self%nodes(n)%obj%v * 3.0D0/2.0D0 + + END IF + + END DO + + END SELECT !Call mesh connectivity CALL self%connectMesh From d608639e77a17511111ac326949f5de28044c864 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 9 Jul 2024 22:05:16 +0200 Subject: [PATCH 152/203] Forgot to save Sorry. --- src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index ff0490a..61802fb 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -499,7 +499,7 @@ MODULE moduleMeshInputVTU ! Adjust node volume at axis SELECT CASE(self%geometry) CASE("Cyl") - DO n = 1, numNodes + DO n = 1, self%numNodes r = self%nodes(n)%obj%getCoordinates() IF (r(2) == 0.D0) THEN self%nodes(n)%obj%v = self%nodes(n)%obj%v * 3.0D0/2.0D0 From cb92462f3683408f218bac22d7f6b50cb72bf63d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 10 Jul 2024 21:55:45 +0200 Subject: [PATCH 153/203] New injection based on surface to all geometries. WARNING: 3DCart still not working (too tired to calculate things and I'm not ussing it...) --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 3 +++ src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 3 +++ src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 3 ++- src/modules/mesh/3DCart/moduleMesh3DCart.f90 | 3 +++ 4 files changed, 11 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index 269f157..f400ab0 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -104,6 +104,7 @@ MODULE moduleMesh1DCart USE moduleSpecies USE moduleBoundary USE moduleErrors + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge1DCart), INTENT(out):: self @@ -122,6 +123,8 @@ MODULE moduleMesh1DCart self%x = r1(1) + self%surface = 1.D0 / L_ref**2 + self%normal = (/ 1.D0, 0.D0, 0.D0 /) !Boundary index diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index d998267..fd617bd 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -104,6 +104,7 @@ MODULE moduleMesh1DRad USE moduleSpecies USE moduleBoundary USE moduleErrors + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge1DRad), INTENT(out):: self @@ -122,6 +123,8 @@ MODULE moduleMesh1DRad self%r = r1(1) + self%surface = 1.D0 / L_ref**2 + self%normal = (/ 1.D0, 0.D0, 0.D0 /) !Boundary index diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 4bf1f32..dbc8b25 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -144,6 +144,7 @@ MODULE moduleMesh2DCart USE moduleSpecies USE moduleBoundary USE moduleErrors + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge2DCart), INTENT(out):: self @@ -163,7 +164,7 @@ MODULE moduleMesh2DCart r2 = self%n2%getCoordinates() self%x = (/r1(1), r2(1)/) self%y = (/r1(2), r2(2)/) - self%weight = 1.D0 + self%surface = SQRT((self%x(2) - self%x(1))**2 + (self%y(2) - self%y(1))**2) / L_ref !Normal vector self%normal = (/ -(self%y(2)-self%y(1)), & self%x(2)-self%x(1) , & diff --git a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 index c451689..8170df7 100644 --- a/src/modules/mesh/3DCart/moduleMesh3DCart.f90 +++ b/src/modules/mesh/3DCart/moduleMesh3DCart.f90 @@ -109,6 +109,7 @@ MODULE moduleMesh3DCart USE moduleBoundary USE moduleErrors USE moduleMath + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge3DCartTria), INTENT(out):: self @@ -142,6 +143,8 @@ MODULE moduleMesh3DCart self%normal = crossProduct(vec1, vec2) self%normal = normalize(self%normal) + self%surface = 1.D0/L_ref**2 !TODO: FIX THIS WHEN MOVING TO 3D + !Boundary index self%boundary => boundary(bt) ALLOCATE(self%fBoundary(1:nSpecies)) From 9d961bb85fafba67008a1241eb467b7d800703ad Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 10 Jul 2024 21:57:22 +0200 Subject: [PATCH 154/203] Removing weight from edges This parameter is no longer needed. Also removing the cumulative sum of weights from the injection. --- src/modules/mesh/moduleMesh.f90 | 2 -- src/modules/moduleInject.f90 | 2 -- 2 files changed, 4 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index af1cd36..a2eaa5f 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -76,8 +76,6 @@ MODULE moduleMesh CLASS(meshCell), POINTER:: eColl => NULL() !Normal vector REAL(8):: normal(1:3) - !Weight for random injection of particles - REAL(8):: weight = 1.D0 ! Surface of edge REAL(8):: surface = 0.D0 !Pointer to boundary type diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 1d4e2e7..529b687 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -61,8 +61,6 @@ MODULE moduleInject CLASS(speciesGeneric), POINTER:: species !Species of injection INTEGER:: nEdges INTEGER, ALLOCATABLE:: edges(:) !Array with edges - REAL(8), ALLOCATABLE:: cumWeight(:) !Array of cummulative probability - REAL(8):: sumWeight REAL(8):: surface ! Total surface of injection TYPE(velDistCont):: v(1:3) !Velocity distribution function in each direction CONTAINS From e23fc2fc2cf7d992cbc7af276bde82977462f400 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 11:21:38 +0200 Subject: [PATCH 155/203] Small progress I made some small changes to how things are calculated. I have also discovered that the issue with different density when changing injection is not related with the node volume but with the way injection is carried out. When loading particles from a file, all provide the same density regardless the cell (node) volume. I am doing testing in 2DCart as it is easier to set up. --- src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 | 2 +- src/modules/mesh/moduleMesh.f90 | 8 +++++--- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 index 6286cfc..8637b7e 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 @@ -209,7 +209,7 @@ MODULE moduleMeshOutputVTU WRITE(fileID,"(8X,A)") '' !Electric field WRITE(fileID,"(10X,A, A, A)") '' - WRITE(fileID, "(6(ES20.6E3))") (self%cells(n)%obj%gatherElectricField(Xi)*EF_ref, n = 1, self%numCells) + WRITE(fileID,"(6(ES20.6E3))") (self%cells(n)%obj%gatherElectricField(Xi)*EF_ref, n = 1, self%numCells) WRITE(fileID,"(10X,A)") '' WRITE(fileID,"(8X,A)") '' diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index a2eaa5f..7390bca 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -613,6 +613,7 @@ MODULE moduleMesh INTEGER:: sp INTEGER:: i CLASS(meshNode), POINTER:: node + REAL(8):: pFraction !Particle fraction cellNodes = self%getNodes(nNodes) fPsi = self%fPsi(part%Xi, nNodes) @@ -623,10 +624,11 @@ MODULE moduleMesh DO i = 1, nNodes node => mesh%nodes(cellNodes(i))%obj + pFraction = fPsi(i)*part%weight CALL OMP_SET_LOCK(node%lock) - node%output(sp)%den = node%output(sp)%den + part%weight*fPsi(i) - node%output(sp)%mom(:) = node%output(sp)%mom(:) + part%weight*fPsi(i)*part%v(:) - node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + part%weight*fPsi(i)*tensorS + node%output(sp)%den = node%output(sp)%den + pFraction + node%output(sp)%mom(:) = node%output(sp)%mom(:) + pFraction*part%v(:) + node%output(sp)%tensorS(:,:) = node%output(sp)%tensorS(:,:) + pFraction*tensorS CALL OMP_UNSET_LOCK(node%lock) END DO From 96c563c1462c048e4ddf96ba73b142ab00dd70ff Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 14:39:56 +0200 Subject: [PATCH 156/203] Finally, some progress I rewrote how particles are injected. Now the particles per edge and its weight are calculated in the initialization. There is the possibility for the user to select the particles per edge. TODO: Write documentation for new feature. TODO: Test in 2DCyl --- src/modules/init/moduleInput.f90 | 5 +- src/modules/moduleInject.f90 | 183 +++++++++++++++++++------------ 2 files changed, 114 insertions(+), 74 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index e30bf97..bd59e32 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1236,6 +1236,7 @@ MODULE moduleInput REAL(8):: flow CHARACTER(:), ALLOCATABLE:: units INTEGER:: physicalSurface + INTEGER:: particlesPerEdge INTEGER:: sp CALL config%info('inject', found, n_children = nInject) @@ -1260,8 +1261,10 @@ MODULE moduleInput CALL config%get(object // '.flow', flow, found) CALL config%get(object // '.units', units, found) CALL config%get(object // '.physicalSurface', physicalSurface, found) + particlesPerEdge = 0 + CALL config%get(object // '.particlesPerEdge', particlesPerEdge, found) - CALL inject(i)%init(i, v, normal, T, flow, units, sp, physicalSurface) + CALL inject(i)%init(i, v, normal, T, flow, units, sp, physicalSurface, particlesPerEdge) CALL readVelDistr(config, inject(i), object) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 529b687..59748eb 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -61,6 +61,8 @@ MODULE moduleInject CLASS(speciesGeneric), POINTER:: species !Species of injection INTEGER:: nEdges INTEGER, ALLOCATABLE:: edges(:) !Array with edges + INTEGER, ALLOCATABLE:: particlesPerEdge(:) ! Particles per edge + REAL(8), ALLOCATABLE:: weightPerEdge(:) ! Weight per edge REAL(8):: surface ! Total surface of injection TYPE(velDistCont):: v(1:3) !Velocity distribution function in each direction CONTAINS @@ -74,7 +76,7 @@ MODULE moduleInject CONTAINS !Initialize an injection of particles - SUBROUTINE initInject(self, i, v, n, T, flow, units, sp, physicalSurface) + SUBROUTINE initInject(self, i, v, n, T, flow, units, sp, physicalSurface, particlesPerEdge) USE moduleMesh USE moduleRefParam USE moduleConstParam @@ -86,52 +88,28 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(inout):: self INTEGER, INTENT(in):: i REAL(8), INTENT(in):: v, n(1:3), T(1:3) - INTEGER, INTENT(in):: sp, physicalSurface + INTEGER, INTENT(in):: sp, physicalSurface, particlesPerEdge REAL(8):: tauInject REAL(8), INTENT(in):: flow CHARACTER(:), ALLOCATABLE, INTENT(in):: units INTEGER:: e, et INTEGER:: phSurface(1:mesh%numEdges) INTEGER:: nVolColl + REAL(8):: fluxPerStep = 0.D0 - self%id = i - self%vMod = v / v_ref - self%n = n / NORM2(n) - self%T = T / T_ref - self%species => species(sp)%obj - tauInject = tau(self%species%n) - SELECT CASE(units) - CASE ("sccm") - !Standard cubic centimeter per minute - self%nParticles = INT(flow*sccm2atomPerS*tauInject*ti_ref/species(sp)%obj%weight) - - CASE ("A") - !Input current in Ampers - self%nParticles = INT(flow*tauInject*ti_ref/(qe*species(sp)%obj%weight)) - - CASE ("Am2") - !Input current in Ampers per square meter - self%nParticles = INT(flow*tauInject*ti_ref*L_ref**2/(qe*species(sp)%obj%weight)) - - CASE ("part/s") - !Input current in Ampers - self%nParticles = INT(flow*tauInject*ti_ref/species(sp)%obj%weight) - - CASE DEFAULT - CALL criticalError("No support for units: " // units, 'initInject') - - END SELECT - !Scale particles for different species steps - IF (self%nParticles == 0) CALL criticalError("The number of particles for inject is 0.", 'initInject') - + self%id = i + self%vMod = v / v_ref + self%n = n / NORM2(n) + self%T = T / T_ref !Gets the edge elements from which particles are injected DO e = 1, mesh%numEdges phSurface(e) = mesh%edges(e)%obj%physicalSurface END DO - self%nEdges = COUNT(phSurface == physicalSurface) - ALLOCATE(inject(i)%edges(1:self%nEdges)) + ALLOCATE(self%edges(1:self%nEdges)) + ALLOCATE(self%particlesPerEdge(1:self%nEdges)) + ALLOCATE(self%weightPerEdge(1:self%nEdges)) et = 0 DO e=1, mesh%numEdges IF (mesh%edges(e)%obj%physicalSurface == physicalSurface) THEN @@ -170,6 +148,60 @@ MODULE moduleInject END DO + ! Information about species and flux + self%species => species(sp)%obj + tauInject = tau(self%species%n) + SELECT CASE(units) + CASE ("sccm") + !Standard cubic centimeter per minute + fluxPerStep = flow*sccm2atomPerS*tauInject*ti_ref + + CASE ("A") + !Current in Ampers + fluxPerStep = flow*tauInject*ti_ref/qe + + CASE ("Am2") + !Input current in Ampers per square meter + fluxPerStep = flow*tauInject*ti_ref*self%surface*L_ref**2/qe + + CASE ("part/s") + !Input current in Ampers + fluxPerStep = flow*tauInject*ti_ref + + CASE DEFAULT + CALL criticalError("No support for units: " // units, 'initInject') + + END SELECT + fluxPerStep = fluxPerStep / self%surface + + !Assign particles per edge + IF (particlesPerEdge > 0) THEN + ! Particles per edge defined by the user + self%particlesPerEdge = particlesPerEdge + DO et = 1, self%nEdges + self%weightPerEdge(et) = fluxPerStep*mesh%edges(self%edges(et))%obj%surface / REAL(particlesPerEdge) + + END DO + + ELSE + ! No particles assigned per edge, use the species weight + self%weightPerEdge = self%species%weight + DO et = 1, self%nEdges + self%particlesPerEdge(et) = FLOOR(fluxPerStep*mesh%edges(self%edges(et))%obj%surface /self%species%weight) + + END DO + + END IF + + print *, self%particlesPerEdge + print *, self%weightPerEdge + + self%nParticles = SUM(self%particlesPerEdge) + print *, self%nParticles + + !Scale particles for different species steps + IF (self%nParticles == 0) CALL criticalError("The number of particles for inject is 0.", 'initInject') + END SUBROUTINE initInject !Injection of particles @@ -285,9 +317,10 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(in):: self INTEGER:: randomX INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array - INTEGER:: i + INTEGER:: i, e INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge + INTEGER:: particlesPerEdge REAL(8):: direction(1:3) !Insert particles @@ -300,58 +333,62 @@ MODULE moduleInject END IF END DO - nMin = nMin + 1 - nMax = nMin + self%nParticles - 1 - !Particle is considered to be outside the domain - partInj(nMin:nMax)%n_in = .FALSE. !$OMP END SINGLE !$OMP DO - DO n = nMin, nMax - randomX = random(1, self%nEdges) - randomEdge => mesh%edges(self%edges(randomX))%obj - !Random position in edge - partInj(n)%r = randomEdge%randPos() - !Assign weight to particle. - partInj(n)%weight = self%species%weight * randomEdge%surface / self%surface - !Volume associated to the edge: - IF (ASSOCIATED(randomEdge%e1)) THEN - partInj(n)%cell = randomEdge%e1%n + DO e = 1, self%nEdges + ! Select edge for injection + randomEdge => mesh%edges(self%edges(e))%obj + ! Inject particles in edge + DO i = 1, self%particlesPerEdge(e) + ! Index in the global partInj array + n = nMin - 1 + SUM(self%particlesPerEdge(1:e-1)) + i + !Particle is considered to be outside the domain + partInj(n)%n_in = .FALSE. + !Random position in edge + partInj(n)%r = randomEdge%randPos() + !Assign weight to particle. + partInj(n)%weight = self%weightPerEdge(e) + !Volume associated to the edge: + IF (ASSOCIATED(randomEdge%e1)) THEN + partInj(n)%cell = randomEdge%e1%n - ELSEIF (ASSOCIATED(randomEdge%e2)) THEN - partInj(n)%cell = randomEdge%e2%n + ELSEIF (ASSOCIATED(randomEdge%e2)) THEN + partInj(n)%cell = randomEdge%e2%n - ELSE - CALL criticalError("No Volume associated to edge", 'addParticles') + ELSE + CALL criticalError("No Volume associated to edge", 'addParticles') - END IF - partInj(n)%cellColl = randomEdge%eColl%n - sp = self%species%n + END IF + partInj(n)%cellColl = randomEdge%eColl%n + sp = self%species%n - !Assign particle type - partInj(n)%species => self%species + !Assign particle type + partInj(n)%species => self%species - direction = self%n + direction = self%n - partInj(n)%v = 0.D0 + partInj(n)%v = 0.D0 - partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & - self%v(2)%obj%randomVel(), & - self%v(3)%obj%randomVel() /) + partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & + self%v(2)%obj%randomVel(), & + self%v(3)%obj%randomVel() /) - !If velocity is not in the right direction, invert it - IF (DOT_PRODUCT(direction, partInj(n)%v) < 0.D0) THEN - partInj(n)%v = - partInj(n)%v + !If velocity is not in the right direction, invert it + IF (DOT_PRODUCT(direction, partInj(n)%v) < 0.D0) THEN + partInj(n)%v = - partInj(n)%v - END IF + END IF - !Obtain natural coordinates of particle in cell - partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) - !Push new particle with the minimum time step - CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) - !Assign cell to new particle - CALL solver%updateParticleCell(partInj(n)) + !Obtain natural coordinates of particle in cell + partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) + !Push new particle with the minimum time step + CALL solver%pusher(sp)%pushParticle(partInj(n), tau(sp)) + !Assign cell to new particle + CALL solver%updateParticleCell(partInj(n)) + + END DO END DO !$OMP END DO From 6d62807fb43466048a1f63996ecfd3e77bb51478 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 14:50:14 +0200 Subject: [PATCH 157/203] Remove testing 'print' statements 2DCyl still seems to have some problems but waiting for simulation. --- src/modules/moduleInject.f90 | 4 ---- 1 file changed, 4 deletions(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 59748eb..93302d9 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -193,11 +193,7 @@ MODULE moduleInject END IF - print *, self%particlesPerEdge - print *, self%weightPerEdge - self%nParticles = SUM(self%particlesPerEdge) - print *, self%nParticles !Scale particles for different species steps IF (self%nParticles == 0) CALL criticalError("The number of particles for inject is 0.", 'initInject') From 03f3b81811359af69f312b1ea47b1ec56beff861 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 15:31:01 +0200 Subject: [PATCH 158/203] Manual updated The manual has been modified to account for the new particlePerEdge option and to indicate that now when the flux is giving by a flux like in the Am2 units, the real surface of the inject is used to scale it. --- doc/user-manual/fpakc_UserManual.pdf | Bin 186028 -> 186195 bytes doc/user-manual/fpakc_UserManual.tex | 7 ++++++- 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/doc/user-manual/fpakc_UserManual.pdf b/doc/user-manual/fpakc_UserManual.pdf index 37d80141e4c7e64c2cb808e7e072b95019a502ae..ef1494ac62b3a07c882225d34ac2998d565ae727 100644 GIT binary patch delta 27417 zcmZshQ*bT}(4=GAwr$(CZQD7)8{4*R+s28V6WccbZ>#pd+P&(oslJ}7d8TV>VVCM) z8%Tkniz_QXE*73``kU#1X}|%I*$!k9VI5mxMy&DpO2PI z1*!Xs%pI&NdB1kcSX%>>RT+WFFhzdh)rQVg#_WfW5q0UT3Z`MkR>YORiuYZgglN&` zT;>jDu5K>o#`ZA(IY$#47QJ?>}tfv9(# zJo{9cQ0B5aIDpyte6*R7n9gAJeKP^?ccNIn8+UoWwy~G6uOVQVNX{Sc9)jDgU0p9& z3yvb)(?dM8v8NAa?%0?0m8H4dzI(MUzWaFfinpe2^rklE8AAZ*-z)1v3nsVs8`N^^ z!6^QTe{^lY!ILNe2Pin^p0s1EW1%`{!QdXmFb5Y07fRdaVvl^a1yl~fxG*eJeKkOP z=H6L&HKLHxg<$yy-D?-N;1Ud@yJ}SKBO@Tz#o+GLtlF?mc_WW=ZU`X8dinU@KW~iQ z0;sBKQgHKx4Gp|*8}?g+q@6Frr@NZ#oe!o4i{GOTZ?|H%0E1Zm`n98H_@{jIF(vr4 zoG|CpV~!2rgRM(U%zEbKHEzZZW433n&erf0<;JN!C`_E|V3j3T^72CrPPeXz{R43a zSl4$bSxKa8BrP!bSTpi^O;cb_RR)li+-xs8DEj z!D^lO=jJz)x>A_`SpE*`uBjUtgQpl3Ct5^!<~9$bc1*Hem4rj5ATV6&nxP&b<$?uz zt9@=KG4JVNwHy>|^NlPAFh{w4;t{rx(hWGNcW-}rluDF`9C@2?;j)0ZV1lW~Cucv> z0+RhipivBBNTy}423+<}a4D40eQ-}8UD~fQB6%?&8%)Pdx=Y&WwZ};Mxfa=phN))W zvna*9nUl3j(b0E0y#F#0=$HgR=R~l;>4IP|U5AG&^VdK}lXKg#+5MOYIu}Vl!|Y&I z_!Ok5B~Iw7FJ~*)hJyAeH3_E4;#J{e1L#(#d4?^8i;PxCMzne~!$rjN=w4ogw{M7C zhO}L4CZG{n$d%oUB8cc>VFasdPeMV9@9~(XfVDco6aCV%4~BbrM5?NZmVul}uf{p= z0zCfmNVi(ZDjk{s1Jj~E(>n}Mwj&!ywtyBy&xxY46gJ7~^Vm2O&&j4%F;`Em0$2b% zq*EPu))U&Rc98t&Rmdl9*R)gMIyXQ>FNkQg^s0)C+?7T^%6j2*$4fbm2K80SS|@41 ziDcEnsKz^FVkSGs%xsNNLE!igovnUH$AraO&aicQLZnaS%U7RKgz%VvU-r2X#C__? znOpdaVUk;(DdgknE*e{E@4T)BRgMEV}q=kX2El$1?$y_ed zB6SnDt$_?aAiWaMq`0xNh`z7MTW6C3uwX07SRl^!A zGN$wp$}6eHpxY$ONa=C_<|IQV2MV)i3$=?ZH-394$j{9fHGd+*G07ut3X9t-N64PmWP+2(dO&~gO$7veg+l_@(XS>?$aRRxts zFzebJmO(LyzPvx z?B*xt8%UiQiqUm*=$?K>KZ!H`H=IX%8S3#CHoHU-)dG;vK+MP)H;>9vINFnnN!m
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z@;%QGxhkL)uA3lRQUhIhmdK6JkU}A3i-#4#=K;GN1Yhw)d<63lkLXBg0R9@rYcM`w zHYpBZNOT7vMn7JKw%R5A!InHu17Ho(AE$ZPq`}$(4380E%;J8k1P7Q}+_y#J!+i#D z+6BT_fwrWbfq09cvx@ZLAZte0WC#QZ`hhmZ?H0vD3Wb<2s7aiDU_D5G2-;$@4|E~@ zY#M9|zHWe*$P=o-)Dk=dE(l>ORPfpze2r8@ehAzb$RrW<1bl8VW;JQI)D-TYQZPPT zmw@qQ@VS8p2WADw3$ZDohtw=SU&yjjxLiVi5JV9DDGB`tB*66_r3TT$Fuh*$BLlyq3ZMhj?U5DuZf)i0#3n z#&stRX*1lGA-uR>3`tu8FSI3W9*l*M1yqm7(ZY5Bp1YwSYevR{5bhJQ1^y607YKie zH4&btLN4Lh8ZP@#k0*Rl&JM z+zGt2lAN1Lh3i-dD@Z>K-jG80W{~Z~bqTn@WKIUMjznw#8?{8 z3Hjh5-p6HuhjYUCnu8@H<_nyQ%OIF;j`07$B$Mj~Tld6TlKT)Sge81_XiDUUA*?0v z!l6ZcPZ$U<9;cM>i%JEYTFozTX5C=aTV)|3az&hBq#kXS%N4O^vt15aNFFO!L}jL! z<-m35@rI}f`M?maa~Ckfk>OpKu3f^}u4*23{vsk-Rk+ZF>&&xV!~Sy(@wl4}J^LVT S(Ss*U!8<7Z{JQpzl>HA1CtG*` From 4747673d0a81af1ee55dad7bb197f595028d0625 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Wed, 28 Jan 2026 14:56:38 +0100 Subject: [PATCH 200/203] Bones of boundary --- src/modules/mesh/moduleMeshBoundary.f90 | 28 ++++++++++++------------- src/modules/moduleBoundary.f90 | 15 +++++++++---- 2 files changed, 25 insertions(+), 18 deletions(-) diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 091e52e..655e4df 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -77,6 +77,20 @@ MODULE moduleMeshBoundary END SUBROUTINE transparent + !Symmetry axis. Reflects particles. + !Although this function should never be called, it is set as a reflective boundary + !to properly deal with possible particles reaching a corner and selecting this boundary. + SUBROUTINE symmetryAxis(edge, part) + USE moduleSpecies + IMPLICIT NONE + + CLASS(meshEdge), INTENT(inout):: edge + CLASS(particle), INTENT(inout):: part + + CALL reflection(edge, part) + + END SUBROUTINE symmetryAxis + !Wall with temperature SUBROUTINE wallTemperature(edge, part) USE moduleSpecies @@ -204,20 +218,6 @@ MODULE moduleMeshBoundary END SUBROUTINE ionization - !Symmetry axis. Reflects particles. - !Although this function should never be called, it is set as a reflective boundary - !to properly deal with possible particles reaching a corner and selecting this boundary. - SUBROUTINE symmetryAxis(edge, part) - USE moduleSpecies - IMPLICIT NONE - - CLASS(meshEdge), INTENT(inout):: edge - CLASS(particle), INTENT(inout):: part - - CALL reflection(edge, part) - - END SUBROUTINE symmetryAxis - !Points the boundary function to specific type SUBROUTINE pointBoundaryFunction(edge, s) USE moduleErrors diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 0b76105..278870f 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -26,6 +26,12 @@ MODULE moduleBoundary END TYPE boundaryTransparent + !Symmetry axis + TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryAxis + CONTAINS + + END TYPE boundaryAxis + !Wall Temperature boundary TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryWallTemperature !Thermal velocity of the wall: square root(Wall temperature X specific heat) @@ -47,11 +53,12 @@ MODULE moduleBoundary END TYPE boundaryIonization - !Symmetry axis - TYPE, PUBLIC, EXTENDS(boundaryGeneric):: boundaryAxis - CONTAINS + !Boundary for quasi-neutral outflow adjusting reflection coefficient + type, public, extends(boundaryGeneric):: boundaryOutflowAdaptive + real(8):: outflowCurrent + contains - END TYPE boundaryAxis + end type boundaryOutflowAdaptive !Wrapper for boundary types (one per species) TYPE:: bTypesCont From 8d5cb6a516ec45917d9bae0516f0f2a34977d44f Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez - Galactica Date: Mon, 2 Feb 2026 14:31:58 +0100 Subject: [PATCH 201/203] Wrong surface in edges Some edges were calculating the area surface incorrectly, which was leading to wrong densities. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 1 - src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 1 - src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 +--- 3 files changed, 1 insertion(+), 5 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index bbc72e2..a304c5e 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -104,7 +104,6 @@ MODULE moduleMesh1DCart USE moduleSpecies USE moduleBoundary USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge1DCart), INTENT(out):: self diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index e260900..a46c6a2 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -104,7 +104,6 @@ MODULE moduleMesh1DRad USE moduleSpecies USE moduleBoundary USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge1DRad), INTENT(out):: self diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index dcd2128..db1ef4f 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -144,7 +144,6 @@ MODULE moduleMesh2DCart USE moduleSpecies USE moduleBoundary USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge2DCart), INTENT(out):: self @@ -164,7 +163,7 @@ MODULE moduleMesh2DCart r2 = self%n2%getCoordinates() self%x = (/r1(1), r2(1)/) self%y = (/r1(2), r2(2)/) - self%surface = SQRT((self%x(2) - self%x(1))**2 + (self%y(2) - self%y(1))**2) / L_ref + self%surface = SQRT((self%x(2) - self%x(1))**2 + (self%y(2) - self%y(1))**2) !Normal vector self%normal = (/ -(self%y(2)-self%y(1)), & self%x(2)-self%x(1) , & @@ -559,7 +558,6 @@ MODULE moduleMesh2DCart !Compute element volume PURE SUBROUTINE volumeQuad(self) - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(inout):: self From 159f2e7620a355549ee64c8bbda579a0f94768c4 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Tue, 3 Feb 2026 10:15:12 +0100 Subject: [PATCH 202/203] Trying partial reflection --- src/modules/init/moduleInput.f90 | 108 ++++++++++--------- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 1 - src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 4 +- src/modules/mesh/moduleMeshBoundary.f90 | 29 ++++- src/modules/moduleBoundary.f90 | 1 + src/modules/moduleInject.f90 | 8 +- 6 files changed, 91 insertions(+), 60 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 74da279..9f50947 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -829,71 +829,77 @@ MODULE moduleInput IF (nTypes /= nSpecies) CALL criticalError('Not enough boundary types defined in ' // object, 'readBoundary') ALLOCATE(boundary(i)%bTypes(1:nSpecies)) DO s = 1, nSpecies - WRITE(sString,'(i2)') s - object = 'boundary(' // TRIM(iString) // ').bTypes(' // TRIM(sString) // ')' - CALL config%get(object // '.type', bType, found) - SELECT CASE(bType) - CASE('reflection') - ALLOCATE(boundaryReflection:: boundary(i)%bTypes(s)%obj) + associate(bound => boundary(i)%bTypes(s)%obj) + WRITE(sString,'(i2)') s + object = 'boundary(' // TRIM(iString) // ').bTypes(' // TRIM(sString) // ')' + CALL config%get(object // '.type', bType, found) + SELECT CASE(bType) + CASE('reflection') + ALLOCATE(boundaryReflection:: bound) - CASE('absorption') - ALLOCATE(boundaryAbsorption:: boundary(i)%bTypes(s)%obj) + CASE('absorption') + ALLOCATE(boundaryAbsorption:: bound) - CASE('transparent') - ALLOCATE(boundaryTransparent:: boundary(i)%bTypes(s)%obj) + CASE('transparent') + ALLOCATE(boundaryTransparent:: bound) - CASE('ionization') - !Neutral parameters - CALL config%get(object // '.neutral.ion', speciesName, found) - IF (.NOT. found) CALL criticalError("missing parameter 'ion' for neutrals in ionization", 'readBoundary') - speciesID = speciesName2Index(speciesName) - CALL config%get(object // '.neutral.mass', m0, found) - IF (.NOT. found) THEN - m0 = species(s)%obj%m*m_ref - END IF - CALL config%get(object // '.neutral.density', n0, found) - IF (.NOT. found) CALL criticalError("missing parameter 'density' for neutrals in ionization", 'readBoundary') - CALL config%get(object // '.neutral.velocity', v0, found) - IF (.NOT. found) CALL criticalError("missing parameter 'velocity' for neutrals in ionization", 'readBoundary') - CALL config%get(object // '.neutral.temperature', T0, found) - IF (.NOT. found) CALL criticalError("missing parameter 'temperature' for neutrals in ionization", 'readBoundary') + CASE('axis') + ALLOCATE(boundaryAxis:: bound) - CALL config%get(object // '.effectiveTime', effTime, found) - IF (.NOT. found) CALL criticalError("missing parameter 'effectiveTime' for ionization", 'readBoundary') + CASE('wallTemperature') + CALL config%get(object // '.temperature', Tw, found) + IF (.NOT. found) CALL criticalError("temperature not found for wallTemperature boundary type", 'readBoundary') + CALL config%get(object // '.specificHeat', cw, found) + IF (.NOT. found) CALL criticalError("specificHeat not found for wallTemperature boundary type", 'readBoundary') - CALL config%get(object // '.energyThreshold', eThreshold, found) - IF (.NOT. found) CALL criticalError("missing parameter 'eThreshold' in ionization", 'readBoundary') + CALL initWallTemperature(bound, Tw, cw) - CALL config%get(object // '.crossSection', crossSection, found) - IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') + CASE('ionization') + !Neutral parameters + CALL config%get(object // '.neutral.ion', speciesName, found) + IF (.NOT. found) CALL criticalError("missing parameter 'ion' for neutrals in ionization", 'readBoundary') + speciesID = speciesName2Index(speciesName) + CALL config%get(object // '.neutral.mass', m0, found) + IF (.NOT. found) THEN + m0 = species(s)%obj%m*m_ref + END IF + CALL config%get(object // '.neutral.density', n0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'density' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.neutral.velocity', v0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'velocity' for neutrals in ionization", 'readBoundary') + CALL config%get(object // '.neutral.temperature', T0, found) + IF (.NOT. found) CALL criticalError("missing parameter 'temperature' for neutrals in ionization", 'readBoundary') - CALL config%get(object // '.electronSecondary', electronSecondary, found) - electronSecondaryID = speciesName2Index(electronSecondary) - IF (found) THEN - CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & - speciesID, effTime, crossSection, eThreshold,electronSecondaryID) + CALL config%get(object // '.effectiveTime', effTime, found) + IF (.NOT. found) CALL criticalError("missing parameter 'effectiveTime' for ionization", 'readBoundary') - ELSE - CALL initIonization(boundary(i)%bTypes(s)%obj, species(s)%obj%m, m0, n0, v0, T0, & - speciesID, effTime, crossSection, eThreshold) + CALL config%get(object // '.energyThreshold', eThreshold, found) + IF (.NOT. found) CALL criticalError("missing parameter 'eThreshold' in ionization", 'readBoundary') - END IF + CALL config%get(object // '.crossSection', crossSection, found) + IF (.NOT. found) CALL criticalError("missing parameter 'crossSection' for neutrals in ionization", 'readBoundary') - CASE('wallTemperature') - CALL config%get(object // '.temperature', Tw, found) - IF (.NOT. found) CALL criticalError("temperature not found for wallTemperature boundary type", 'readBoundary') - CALL config%get(object // '.specificHeat', cw, found) - IF (.NOT. found) CALL criticalError("specificHeat not found for wallTemperature boundary type", 'readBoundary') + CALL config%get(object // '.electronSecondary', electronSecondary, found) + electronSecondaryID = speciesName2Index(electronSecondary) + IF (found) THEN + CALL initIonization(bound, species(s)%obj%m, m0, n0, v0, T0, & + speciesID, effTime, crossSection, eThreshold,electronSecondaryID) - CALL initWallTemperature(boundary(i)%bTypes(s)%obj, Tw, cw) + ELSE + CALL initIonization(bound, species(s)%obj%m, m0, n0, v0, T0, & + speciesID, effTime, crossSection, eThreshold) - CASE('axis') - ALLOCATE(boundaryAxis:: boundary(i)%bTypes(s)%obj) + END IF - CASE DEFAULT - CALL criticalError('Boundary type ' // bType // ' undefined', 'readBoundary') + case('outflowAdaptive') + allocate(boundaryOutflowAdaptive:: bound) - END SELECT + CASE DEFAULT + CALL criticalError('Boundary type ' // bType // ' undefined', 'readBoundary') + + END SELECT + + end associate END DO diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index bbc72e2..a304c5e 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -104,7 +104,6 @@ MODULE moduleMesh1DCart USE moduleSpecies USE moduleBoundary USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge1DCart), INTENT(out):: self diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index dcd2128..db1ef4f 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -144,7 +144,6 @@ MODULE moduleMesh2DCart USE moduleSpecies USE moduleBoundary USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshEdge2DCart), INTENT(out):: self @@ -164,7 +163,7 @@ MODULE moduleMesh2DCart r2 = self%n2%getCoordinates() self%x = (/r1(1), r2(1)/) self%y = (/r1(2), r2(2)/) - self%surface = SQRT((self%x(2) - self%x(1))**2 + (self%y(2) - self%y(1))**2) / L_ref + self%surface = SQRT((self%x(2) - self%x(1))**2 + (self%y(2) - self%y(1))**2) !Normal vector self%normal = (/ -(self%y(2)-self%y(1)), & self%x(2)-self%x(1) , & @@ -559,7 +558,6 @@ MODULE moduleMesh2DCart !Compute element volume PURE SUBROUTINE volumeQuad(self) - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(inout):: self diff --git a/src/modules/mesh/moduleMeshBoundary.f90 b/src/modules/mesh/moduleMeshBoundary.f90 index 655e4df..deb4459 100644 --- a/src/modules/mesh/moduleMeshBoundary.f90 +++ b/src/modules/mesh/moduleMeshBoundary.f90 @@ -218,6 +218,28 @@ MODULE moduleMeshBoundary END SUBROUTINE ionization + subroutine outflowAdaptive(edge, part) + use moduleRandom + implicit none + + class(meshEdge), intent(inout):: edge + class(particle), intent(inout):: part + + select type(bound => edge%boundary%bTypes(part%species%n)%obj) + type is(boundaryOutflowAdaptive) + + if (random() < 0.844d0) then + call reflection(edge, part) + + else + call transparent(edge, part) + + end if + + end select + + end subroutine outflowAdaptive + !Points the boundary function to specific type SUBROUTINE pointBoundaryFunction(edge, s) USE moduleErrors @@ -236,14 +258,17 @@ MODULE moduleMeshBoundary TYPE IS(boundaryTransparent) edge%fBoundary(s)%apply => transparent + TYPE IS(boundaryAxis) + edge%fBoundary(s)%apply => symmetryAxis + TYPE IS(boundaryWallTemperature) edge%fBoundary(s)%apply => wallTemperature TYPE IS(boundaryIonization) edge%fBoundary(s)%apply => ionization - TYPE IS(boundaryAxis) - edge%fBoundary(s)%apply => symmetryAxis + type is(boundaryOutflowAdaptive) + edge%fBoundary(s)%apply => outflowAdaptive CLASS DEFAULT CALL criticalError("Boundary type not defined in this geometry", 'pointBoundaryFunction') diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 278870f..67465c7 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -56,6 +56,7 @@ MODULE moduleBoundary !Boundary for quasi-neutral outflow adjusting reflection coefficient type, public, extends(boundaryGeneric):: boundaryOutflowAdaptive real(8):: outflowCurrent + real(8):: reflectionFraction contains end type boundaryOutflowAdaptive diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 528cb91..cb1c7fb 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -387,9 +387,11 @@ MODULE moduleInject partInj(n)%v = 0.D0 - partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & - self%v(2)%obj%randomVel(), & - self%v(3)%obj%randomVel() /) + do while(dot_product(partInj(n)%v, direction) <= 0.d0) + partInj(n)%v = self%vMod*direction + (/ self%v(1)%obj%randomVel(), & + self%v(2)%obj%randomVel(), & + self%v(3)%obj%randomVel() /) + end do !If injecting a no-drift distribution and velocity is negative, reflect if ((self%vMod == 0.D0) .and. & From 23bba3100555218705995662374045ed8be6cad4 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 4 Feb 2026 13:52:24 +0100 Subject: [PATCH 203/203] Fixed an issue with the random Maxwellian subroutines --- src/modules/common/moduleRandom.f90 | 23 +++++++++++------------ src/modules/moduleInject.f90 | 14 ++++---------- 2 files changed, 15 insertions(+), 22 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index 156f5e4..1b8ec67 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -48,24 +48,23 @@ MODULE moduleRandom END FUNCTION randomIntAB !Returns a random number in a Maxwellian distribution of mean 0 and width 1 with the Box-Muller Method - FUNCTION randomMaxwellian() RESULT(rnd) - USE moduleConstParam, ONLY: PI - IMPLICIT NONE + function randomMaxwellian() result(rnd) + USE moduleConstParam, only: pi + implicit none - REAL(8):: rnd - REAL(8):: v1, v2, Rsquare + real(8):: rnd + real(8):: v1, v2, Rsquare - Rsquare = 1.D0 - do while (Rsquare >= 1.D0 .and. Rsquare > 0.D0) - v1 = 2.D0 * random() - 1.D0 - v2 = 2.D0 * random() - 1.D0 - Rsquare = v1**2 + v2**2 + v1 = 0.d0 + do while (v1 <= 0.d0) + v1 = random() end do + v2 = random() - rnd = v2 * sqrt(-2.D0 * log(Rsquare) / Rsquare) + rnd = sqrt(-2.d0*log(v1))*cos(2*pi*v2) - END FUNCTION randomMaxwellian + end function randomMaxwellian !Returns a random number in a Maxwellian distribution of mean 0 and width 1 FUNCTION randomHalfMaxwellian() RESULT(rnd) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index cb1c7fb..ff8a694 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -257,7 +257,7 @@ MODULE moduleInject CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist REAL(8), INTENT(in):: temperature, m - velDist = velDistMaxwellian(vTh = DSQRT(temperature/m)) + velDist = velDistMaxwellian(vTh = DSQRT(2.d0*temperature/m)) END SUBROUTINE initVelDistMaxwellian @@ -267,7 +267,7 @@ MODULE moduleInject CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist REAL(8), INTENT(in):: temperature, m - velDist = velDistHalfMaxwellian(vTh = DSQRT(temperature/m)) + velDist = velDistHalfMaxwellian(vTh = DSQRT(2.d0*temperature/m)) END SUBROUTINE initVelDistHalfMaxwellian @@ -289,7 +289,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - v = sqrt(2.0)*self%vTh*randomMaxwellian() + v = self%vTh*randomMaxwellian()/sqrt(2.d0) END FUNCTION randomVelMaxwellian @@ -302,7 +302,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - v = sqrt(2.0)*self%vTh*randomHalfMaxwellian() + v = self%vTh*randomHalfMaxwellian()/sqrt(2.d0) END FUNCTION randomVelHalfMaxwellian @@ -393,12 +393,6 @@ MODULE moduleInject self%v(3)%obj%randomVel() /) end do - !If injecting a no-drift distribution and velocity is negative, reflect - if ((self%vMod == 0.D0) .and. & - (dot_product(direction, partInj(n)%v) < 0.D0)) then - partInj(n)%v = - partInj(n)%v - - end if !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r)

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a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -611,7 +611,7 @@ make \begin{itemize} \item \textbf{A}: Ampere. \item \textbf{Am2}: Ampere per square meter. - This value will be multiplied by the square of the reference length to convert to A, it will not consider the surface area of injection. + This value will be multiplied by the surface of injection. \item \textbf{sccm}: Standard cubic centimetre. \item \textbf{part/s}: Particles (real) per second. \end{itemize} @@ -638,6 +638,11 @@ make Temperature in each direction. \item \textbf{physicalSurface}: Integer. Identification of the edge in the mesh file. + \item \textbf{particlesPerEdge}: Integer. + Optional. + Number of particles to be injected by each edge in the numerical domain. + The weight of the particles for each edge will modified by the surface of the edge to ensure the right flux is injected. + If no value is provided, the number of particles to inject per edge will be calculated with the species weight and the surface of the edge respect to the total one. \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{reference} From d710cc5e6631353bbbb34df41b48bdb3e4dc0cb0 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 15:52:13 +0200 Subject: [PATCH 159/203] Probes fixed! This should've been commited in another branch, but I am taking advantage of this to clean up the code a bit. --- src/modules/moduleProbe.f90 | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index c7d3cf5..c29eeda 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -101,7 +101,7 @@ MODULE moduleProbe !Maximum radius !TODO: Make this an input parameter - self%maxR = 1.D0 + self%maxR = 1.D-2/L_ref !Init the probe lock CALL OMP_INIT_LOCK(self%lock) @@ -148,7 +148,7 @@ MODULE moduleProbe deltaR = NORM2(self%r - part%r) !Only include particle if it is inside the maximum radius - IF (deltaR < self%maxR) THEN + ! IF (deltaR < self%maxR) THEN !find lower index for all dimensions CALL self%findLowerIndex(part%v, i, j, k, inside) @@ -162,28 +162,28 @@ MODULE moduleProbe fk = self%vk(k+1) - part%v(3) fk1 = part%v(3) - self%vk(k) - ! weight = part%weight * DEXP(deltaR/self%maxR) - weight = part%weight + weight = part%weight * DEXP(-deltaR/self%maxR) + ! weight = part%weight !Lock the probe CALL OMP_SET_LOCK(self%lock) !Assign particle weight to distribution function - self%f(i , j , k ) = fi * fj * fk * weight - self%f(i+1, j , k ) = fi1 * fj * fk * weight - self%f(i , j+1, k ) = fi * fj1 * fk * weight - self%f(i+1, j+1, k ) = fi1 * fj1 * fk * weight - self%f(i , j , k+1) = fi * fj * fk1 * weight - self%f(i+1, j , k+1) = fi1 * fj * fk1 * weight - self%f(i , j+1, k+1) = fi * fj1 * fk1 * weight - self%f(i+1, j+1, k+1) = fi1 * fj1 * fk1 * weight + self%f(i , j , k ) = self%f(i , j , k ) + fi * fj * fk * weight + self%f(i+1, j , k ) = self%f(i+1, j , k ) + fi1 * fj * fk * weight + self%f(i , j+1, k ) = self%f(i , j+1, k ) + fi * fj1 * fk * weight + self%f(i+1, j+1, k ) = self%f(i+1, j+1, k ) + fi1 * fj1 * fk * weight + self%f(i , j , k+1) = self%f(i , j , k+1) + fi * fj * fk1 * weight + self%f(i+1, j , k+1) = self%f(i+1, j , k+1) + fi1 * fj * fk1 * weight + self%f(i , j+1, k+1) = self%f(i , j+1, k+1) + fi * fj1 * fk1 * weight + self%f(i+1, j+1, k+1) = self%f(i+1, j+1, k+1) + fi1 * fj1 * fk1 * weight !Unlock the probe CALL OMP_UNSET_LOCK(self%lock) END IF - END IF + ! END IF END IF From bc8f20528749446ed9b1b7c083e69cf062aa8b26 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 15:55:02 +0200 Subject: [PATCH 160/203] Clean-up! Trying to reduce warnings and unused variables in the code. This should not be in this branch. --- src/modules/init/moduleInput.f90 | 3 +-- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 2 -- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 5 +++-- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 1 + .../mesh/inout/vtu/moduleMeshOutputVTU.f90 | 9 +++------ src/modules/mesh/moduleMesh.f90 | 6 ++++++ src/modules/moduleInject.f90 | 16 +++++++--------- src/modules/solver/electromagnetic/moduleEM.f90 | 3 ++- 8 files changed, 23 insertions(+), 22 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index bd59e32..6f1d5bb 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -308,7 +308,7 @@ MODULE moduleInput LOGICAL:: found CHARACTER(:), ALLOCATABLE:: object INTEGER:: nInitial - INTEGER:: i, j, p, e + INTEGER:: i, p, e CHARACTER(LEN=2):: iString CHARACTER(:), ALLOCATABLE:: spName INTEGER:: sp @@ -923,7 +923,6 @@ MODULE moduleInput LOGICAL:: found CHARACTER(:), ALLOCATABLE:: meshFormat, meshFile REAL(8):: volume - CHARACTER(:), ALLOCATABLE:: meshFileVTU !Temporary to test VTU OUTPUT object = 'geometry' diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 166ae84..2d300b9 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -582,8 +582,6 @@ MODULE moduleMesh2DCyl REAL(8):: detJ REAL(8):: fPsi(1:4) REAL(8):: dPsi(1:3, 1:4), pDer(1:3, 1:3) - REAL(8):: corrUp, corrDown - REAL(8):: dZ, r2, r1 self%volume = 0.D0 diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 11c3b13..1c8de50 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -108,6 +108,7 @@ MODULE moduleMeshInputGmsh2 READ(10, *) totalNumElem !Count edges and volume elements + numEdges = 0 SELECT TYPE(self) TYPE IS(meshParticles) self%numEdges = 0 @@ -342,7 +343,7 @@ MODULE moduleMeshInputGmsh2 DO i = 1, numNodes !Reads the density - READ(10, *), e, density(i) + READ(10, *) e, density(i) END DO @@ -353,7 +354,7 @@ MODULE moduleMeshInputGmsh2 DO i = 1, numNodes !Reads the velocity - READ(10, *), e, velocity(i, 1:3) + READ(10, *) e, velocity(i, 1:3) END DO diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 61802fb..d408387 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -275,6 +275,7 @@ MODULE moduleMeshInputVTU END DO !Count the number of edges + numEdges = 0 SELECT CASE(self%dimen) CASE(3) !Edges are triangles, type 5 in VTK diff --git a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 index 8637b7e..da90b6b 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 @@ -315,9 +315,8 @@ MODULE moduleMeshOutputVTU CLASS(meshParticles), INTENT(in):: self INTEGER, INTENT(in):: t - INTEGER:: n, i, fileID + INTEGER:: i, fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection - TYPE(outputFormat):: output(1:self%numNodes) fileID = 60 @@ -352,10 +351,9 @@ MODULE moduleMeshOutputVTU CLASS(meshGeneric), INTENT(in):: self INTEGER, INTENT(in):: t - INTEGER:: n, i, fileID + INTEGER:: fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection CHARACTER (LEN=iterationDigits):: tstring - TYPE(outputFormat):: output(1:self%numNodes) fileID = 62 @@ -424,9 +422,8 @@ MODULE moduleMeshOutputVTU IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER:: n, i, fileIDMean, fileIDDeviation + INTEGER:: i, fileIDMean, fileIDDeviation CHARACTER(:), ALLOCATABLE:: fileNameMean, fileNameDeviation - TYPE(outputFormat):: output(1:self%numNodes) fileIDMean = 66 fileIDDeviation = 67 diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 7390bca..ae53aa0 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -1025,6 +1025,9 @@ MODULE moduleMesh ALLOCATE(deltaV_ij(1:cell%listPart_in(i)%amount, 1:3)) ALLOCATE(p_ij(1:cell%listPart_in(i)%amount, 1:3)) ALLOCATE(mass_ij(1:cell%listPart_in(i)%amount)) + deltaV_ij = 0.D0 + p_ij = 0.D0 + mass_ij = 0.D0 !Loop over particles of species_i partTemp => cell%listPart_in(i)%head p = 1 @@ -1109,6 +1112,9 @@ MODULE moduleMesh ALLOCATE(deltaV_ji(1:cell%listPart_in(j)%amount, 1:3)) ALLOCATE(p_ji(1:cell%listPart_in(j)%amount, 1:3)) ALLOCATE(mass_ji(1:cell%listPart_in(j)%amount)) + deltaV_ji = 0.D0 + p_ji = 0.D0 + mass_ji = 0.D0 !Loop over particles of species_j partTemp => cell%listPart_in(j)%head p = 1 diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 93302d9..18c7fbb 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -151,28 +151,29 @@ MODULE moduleInject ! Information about species and flux self%species => species(sp)%obj tauInject = tau(self%species%n) + ! Convert units SELECT CASE(units) CASE ("sccm") !Standard cubic centimeter per minute - fluxPerStep = flow*sccm2atomPerS*tauInject*ti_ref + fluxPerStep = flow*sccm2atomPerS CASE ("A") !Current in Ampers - fluxPerStep = flow*tauInject*ti_ref/qe + fluxPerStep = flow/qe CASE ("Am2") !Input current in Ampers per square meter - fluxPerStep = flow*tauInject*ti_ref*self%surface*L_ref**2/qe + fluxPerStep = flow*self%surface*L_ref**2/qe CASE ("part/s") !Input current in Ampers - fluxPerStep = flow*tauInject*ti_ref + fluxPerStep = flow CASE DEFAULT CALL criticalError("No support for units: " // units, 'initInject') END SELECT - fluxPerStep = fluxPerStep / self%surface + fluxPerStep = fluxPerStep * tauInject * ti_ref / self%surface !Assign particles per edge IF (particlesPerEdge > 0) THEN @@ -307,16 +308,13 @@ MODULE moduleInject USE moduleMesh USE moduleRandom USE moduleErrors - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(injectGeneric), INTENT(in):: self - INTEGER:: randomX - INTEGER, SAVE:: nMin, nMax !Min and Max index in partInj array + INTEGER, SAVE:: nMin INTEGER:: i, e INTEGER:: n, sp CLASS(meshEdge), POINTER:: randomEdge - INTEGER:: particlesPerEdge REAL(8):: direction(1:3) !Insert particles diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index bdf6b03..d5d0793 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -30,8 +30,9 @@ MODULE moduleEM INTEGER, ALLOCATABLE:: nodes(:) INTEGER:: n + nNodes = 1 nNodes = edge%nNodes - nodes = edge%getNodes(nNodes) + nodes = edge%getNodes(nNodes) DO n = 1, nNodes SELECT CASE(self%typeEM) From 72dd3c9073f5123da5267c6f3f6e38749e683e0d Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 11 Jul 2024 17:40:57 +0200 Subject: [PATCH 161/203] I think I have it So the radius for the volume integral in the nodes has to be set with a 1/4 3/4 ratio to match the change in volume as the radius changes along the volume. This has a bigger impact close to the edge. Still unsure if this is the "right" thing to do, but at least it works okay (it seems). --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index 2d300b9..ccf0c0f 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -247,7 +247,7 @@ MODULE moduleMesh2DCyl !QUAD FUNCTIONS !Init element SUBROUTINE initCellQuad2DCyl(self, n, p, nodes) - USE moduleRefParam + USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(out):: self @@ -594,17 +594,17 @@ MODULE moduleMesh2DCyl r = DOT_PRODUCT(fPsi,self%r) !Computes total volume of the cell self%volume = r*detJ*PI8 !2*pi * 4 (weight of 1 point 2D-Gaussian integral) - !Computes volume per node - Xi = (/-5.D-1, -5.D-1, 0.D0/) + !Computes volume per node. Change the radius point to calculate the area to improve accuracy near the axis. + Xi = (/-5.D-1, -0.25D0, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n1%v = self%n1%v + fPsi(1)*r*detJ*PI8 - Xi = (/ 5.D-1, -5.D-1, 0.D0/) + Xi = (/ 5.D-1, -0.25D0, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n2%v = self%n2%v + fPsi(2)*r*detJ*PI8 - Xi = (/ 5.D-1, 5.D-1, 0.D0/) + Xi = (/ 5.D-1, 0.75D0, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n3%v = self%n3%v + fPsi(3)*r*detJ*PI8 - Xi = (/-5.D-1, 5.D-1, 0.D0/) + Xi = (/-5.D-1, 0.75D0, 0.D0/) r = self%gatherF(Xi, 4, self%r) self%n4%v = self%n4%v + fPsi(4)*r*detJ*PI8 From 152ae6b097422d5b5e924835627b5d52473c5c5b Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 11 Jul 2024 18:19:26 +0200 Subject: [PATCH 162/203] No longer needed The correction in the node volume is no longer needed as now things are being calculated right with the last change. Still, at some point I should review the calculation of the node volume in 2DCyl. --- .../mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 | 14 -------------- src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 | 14 -------------- 2 files changed, 28 deletions(-) diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 index 1c8de50..1ad6a36 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshInputGmsh2.f90 @@ -297,20 +297,6 @@ MODULE moduleMeshInputGmsh2 CLOSE(10) - ! Adjust node volume at axis - SELECT CASE(self%geometry) - CASE("Cyl") - DO n = 1, self%numNodes - r = self%nodes(n)%obj%getCoordinates() - IF (r(2) == 0.D0) THEN - self%nodes(n)%obj%v = self%nodes(n)%obj%v * 3.0D0/2.0D0 - - END IF - - END DO - - END SELECT - !Call mesh connectivity CALL self%connectMesh diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index d408387..184d645 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -497,20 +497,6 @@ MODULE moduleMeshInputVTU END DO - ! Adjust node volume at axis - SELECT CASE(self%geometry) - CASE("Cyl") - DO n = 1, self%numNodes - r = self%nodes(n)%obj%getCoordinates() - IF (r(2) == 0.D0) THEN - self%nodes(n)%obj%v = self%nodes(n)%obj%v * 3.0D0/2.0D0 - - END IF - - END DO - - END SELECT - !Call mesh connectivity CALL self%connectMesh From fb9d1ad8375267eaa1f4bfe7c3b0c44952c94a4d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Thu, 11 Jul 2024 16:44:29 +0000 Subject: [PATCH 163/203] Update moduleMesh2DCyl.f90 This is not needed. --- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 1 - 1 file changed, 1 deletion(-) diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index ccf0c0f..ae1eb92 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -247,7 +247,6 @@ MODULE moduleMesh2DCyl !QUAD FUNCTIONS !Init element SUBROUTINE initCellQuad2DCyl(self, n, p, nodes) - USE moduleRefParam, ONLY: L_ref IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(out):: self From abedb79b1651386d39e4e08c9de877a66a6d70e4 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 12 Jul 2024 11:02:26 +0200 Subject: [PATCH 164/203] Some comments Just some comments on how I am going to make the desired changes (have a Dirichlet boundary condition for the electric potential that changes with time). This might be a good opportunity to rework the boundary conditions in the electrostatic field and include other things like a Newmann boundary condition. We will see. --- src/modules/init/moduleInput.f90 | 6 ++++++ src/modules/solver/electromagnetic/moduleEM.f90 | 2 ++ 2 files changed, 8 insertions(+) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 6f1d5bb..4216c73 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1173,6 +1173,12 @@ MODULE moduleInput IF (.NOT. found) & CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') + CASE ("dirichletTime") + CALL config%get(object // '.potential', boundEM(i)%potential, found) + IF (.NOT. found) & + CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') + boundEM(i)%potential = boundEM(i)%potential/Volt_ref + CASE DEFAULT CALL criticalError('Boundary type ' // boundEM(i)%typeEM // ' not yet supported', 'readEMBoundary') diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index d5d0793..f6c7112 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -2,6 +2,7 @@ MODULE moduleEM IMPLICIT NONE + ! TODO: Make this a derived type. TYPE:: boundaryEM CHARACTER(:), ALLOCATABLE:: typeEM INTEGER:: physicalSurface @@ -9,6 +10,7 @@ MODULE moduleEM CONTAINS PROCEDURE, PASS:: apply + !PROCEDURE, PASS:: update !only for time dependent boundary conditions or maybe change apply????? That might be better. END TYPE boundaryEM From f0a27c05295e110829f91c23f1624b9596d1df32 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 12 Jul 2024 13:17:02 +0200 Subject: [PATCH 165/203] More comments So if the source vector is being updated every time step, it might be "easy" to implement these things. --- src/modules/solver/electromagnetic/moduleEM.f90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index f6c7112..ce33570 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -49,7 +49,7 @@ MODULE moduleEM END DO - END SUBROUTINE + END SUBROUTINE apply !Assemble the source vector based on the charge density to solve Poisson's equation SUBROUTINE assembleSourceVector(vectorF) @@ -130,6 +130,7 @@ MODULE moduleEM ALLOCATE(tempF(1:mesh%numNodes)) !$OMP END SINGLE + !TODO: Is this done every time step??? Then things are gonna be really simple. CALL assembleSourceVector(tempF) !$OMP SINGLE From 49025a6965869b7a19975b8cad73a989cc0d6028 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 12 Jul 2024 19:21:00 +0200 Subject: [PATCH 166/203] Starting changes Planning the new way to do BC in the EM field solver. Probably I have to change how things are read, but I don't think this is going to affect the input file. --- src/modules/solver/electromagnetic/moduleEM.f90 | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index ce33570..a141eac 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -1,12 +1,23 @@ !Module to solve the electromagnetic field MODULE moduleEM + USE moduleMesh IMPLICIT NONE + ! Array of pointers to nodes. + !TODO: This is probably better in moduleMesh as multiple modules could use this. + TYPE:: meshNodePointer + CLASS(meshNode), POINTER:: obj + CONTAINS + + END TYPE meshNodePointer + + ! TODO: Make this a derived type. TYPE:: boundaryEM CHARACTER(:), ALLOCATABLE:: typeEM INTEGER:: physicalSurface REAL(8):: potential + TYPE(meshNodePointer), ALLOCATABLE:: nodes(:) CONTAINS PROCEDURE, PASS:: apply @@ -42,6 +53,7 @@ MODULE moduleEM mesh%K(nodes(n), :) = 0.D0 mesh%K(nodes(n), nodes(n)) = 1.D0 + ! TODO: Change this to pointer mesh%nodes(nodes(n))%obj%emData%type = self%typeEM mesh%nodes(nodes(n))%obj%emData%phi = self%potential From ac277259408bd6670ea17085527e3f91881fb04e Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 12 Jul 2024 23:08:19 +0200 Subject: [PATCH 167/203] Big one... I should've commited before, but I wanted to make things compile. The big change is that I've added a global time step so the parameter does not need to be passed in each function. This is useful as we are moving towards using time profiles for boundary conditions and injection of particles (not in this branch, but in the future and the procedure will be quite similar) --- src/fpakc.f90 | 25 ++- src/modules/common/moduleCaseParam.f90 | 5 + src/modules/init/moduleInput.f90 | 134 +++++++------ .../mesh/inout/0D/moduleMeshOutput0D.f90 | 21 +- .../inout/gmsh2/moduleMeshOutputGmsh2.f90 | 38 ++-- .../mesh/inout/moduleMeshInoutCommon.f90 | 8 +- .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 2 +- .../mesh/inout/vtu/moduleMeshOutputVTU.f90 | 35 ++-- src/modules/mesh/moduleMesh.f90 | 15 +- src/modules/moduleInject.f90 | 26 +-- src/modules/moduleProbe.f90 | 28 +-- src/modules/output/moduleOutput.f90 | 6 +- .../solver/electromagnetic/moduleEM.f90 | 180 +++++++++++++----- src/modules/solver/moduleSolver.f90 | 37 ++-- 14 files changed, 340 insertions(+), 220 deletions(-) diff --git a/src/fpakc.f90 b/src/fpakc.f90 index e90a5e0..ae6e7bb 100644 --- a/src/fpakc.f90 +++ b/src/fpakc.f90 @@ -11,12 +11,12 @@ PROGRAM fpakc USE OMP_LIB IMPLICIT NONE - ! t = time step - INTEGER:: t ! arg1 = Input argument 1 (input file) CHARACTER(200):: arg1 ! inputFile = path+name of input file CHARACTER(:), ALLOCATABLE:: inputFile + ! generic integer for time step + INTEGER:: t tStep = omp_get_wtime() !Gets the input file @@ -32,10 +32,13 @@ PROGRAM fpakc CALL initOutput(inputFile) !Do '0' iteration - t = tInitial + timeStep = tInitial !$OMP PARALLEL DEFAULT(SHARED) !$OMP SINGLE + ! Initial reset of probes + CALL resetProbes() + CALL verboseError("Initial scatter of particles...") !$OMP END SINGLE CALL doScatter() @@ -49,19 +52,21 @@ PROGRAM fpakc tStep = omp_get_wtime() - tStep !Output initial state - CALL doOutput(t) + CALL doOutput() CALL verboseError('Starting main loop...') !$OMP PARALLEL DEFAULT(SHARED) DO t = tInitial + 1, tFinal - !Insert new particles and push them !$OMP SINGLE tStep = omp_get_wtime() + ! Update global time step index + timeStep = t + !Checks if a species needs to me moved in this iteration - CALL solver%updatePushSpecies(t) + CALL solver%updatePushSpecies() !Checks if probes need to be calculated this iteration - CALL resetProbes(t) + CALL resetProbes() tPush = omp_get_wtime() !$OMP END SINGLE @@ -79,7 +84,7 @@ PROGRAM fpakc !$OMP END SINGLE IF (doMCCollisions) THEN - CALL meshForMCC%doCollisions(t) + CALL meshForMCC%doCollisions() END IF @@ -124,12 +129,12 @@ PROGRAM fpakc !$OMP SINGLE tEMField = omp_get_wtime() - tEMField - CALL doAverage(t) + CALL doAverage() tStep = omp_get_wtime() - tStep !Output data - CALL doOutput(t) + CALL doOutput() !$OMP END SINGLE END DO diff --git a/src/modules/common/moduleCaseParam.f90 b/src/modules/common/moduleCaseParam.f90 index 8df3210..551d867 100644 --- a/src/modules/common/moduleCaseParam.f90 +++ b/src/modules/common/moduleCaseParam.f90 @@ -2,8 +2,13 @@ MODULE moduleCaseParam !Final and initial iterations INTEGER:: tFinal, tInitial = 0 + ! Global index of current iteration + INTEGER:: timeStep + ! Time step for all species REAL(8), ALLOCATABLE:: tau(:) + ! Minimum time step REAL(8):: tauMin + ! Time step for Monte-Carlo Collisions REAL(8):: tauColl END MODULE moduleCaseParam diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 4216c73..6800ac1 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -264,8 +264,8 @@ MODULE moduleInput CALL readEMBoundary(config) !Read constant magnetic field DO i = 1, 3 - WRITE(istring, '(i2)') i - CALL config%get(object // '.B(' // istring // ')', B(i), found) + WRITE(iString, '(i2)') i + CALL config%get(object // '.B(' // iString // ')', B(i), found) IF (.NOT. found) THEN CALL criticalError('Constant magnetic field not provided in direction ' // iString, 'readSolver') @@ -799,7 +799,7 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config INTEGER:: i, s - CHARACTER(2):: istring, sString + CHARACTER(2):: iString, sString CHARACTER(:), ALLOCATABLE:: object, bType REAL(8):: Tw, cw !Wall temperature and specific heat !Neutral Properties @@ -815,8 +815,8 @@ MODULE moduleInput CALL config%info('boundary', found, n_children = nBoundary) ALLOCATE(boundary(1:nBoundary)) DO i = 1, nBoundary - WRITE(istring, '(i2)') i - object = 'boundary(' // TRIM(istring) // ')' + WRITE(iString, '(i2)') i + object = 'boundary(' // TRIM(iString) // ')' boundary(i)%n = i CALL config%get(object // '.name', boundary(i)%name, found) @@ -1100,13 +1100,13 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config CHARACTER(:), ALLOCATABLE:: object LOGICAL:: found - CHARACTER(2):: istring + CHARACTER(2):: iString INTEGER:: i CHARACTER(:), ALLOCATABLE:: speciesName REAL(8), ALLOCATABLE, DIMENSION(:):: r REAL(8), ALLOCATABLE, DIMENSION(:):: v1, v2, v3 INTEGER, ALLOCATABLE, DIMENSION(:):: points - REAL(8):: timeStep + REAL(8):: everyTimeStep CALL config%info('output.probes', found, n_children = nProbes) @@ -1114,7 +1114,7 @@ MODULE moduleInput DO i = 1, nProbes WRITE(iString, '(I2)') i - object = 'output.probes(' // trim(istring) // ')' + object = 'output.probes(' // trim(iString) // ')' CALL config%get(object // '.species', speciesName, found) CALL config%get(object // '.position', r, found) @@ -1122,16 +1122,14 @@ MODULE moduleInput CALL config%get(object // '.velocity_2', v2, found) CALL config%get(object // '.velocity_3', v3, found) CALL config%get(object // '.points', points, found) - CALL config%get(object // '.timeStep', timeStep, found) + CALL config%get(object // '.timeStep', everyTimeStep, found) IF (ANY(points < 2)) CALL criticalError("Number of points in probe " // iString // " incorrect", 'readProbes') - CALL probe(i)%init(i, speciesName, r, v1, v2, v3, points, timeStep) + CALL probe(i)%init(i, speciesName, r, v1, v2, v3, points, everyTimeStep) END DO - CALL resetProbes(tInitial) - END SUBROUTINE readProbes SUBROUTINE readEMBoundary(config) @@ -1147,40 +1145,56 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config CHARACTER(:), ALLOCATABLE:: object LOGICAL:: found - CHARACTER(2):: istring - INTEGER:: i, e, s + CHARACTER(:), ALLOCATABLE:: typeEM + REAL(8):: potential + INTEGER:: physicalSurface + CHARACTER(:), ALLOCATABLE:: timeProfile + INTEGER:: b, e, s, n, ni + CHARACTER(2):: bString INTEGER:: info EXTERNAL:: dgetrf CALL config%info('boundaryEM', found, n_children = nBoundaryEM) - IF (found) ALLOCATE(boundEM(1:nBoundaryEM)) + IF (found) ALLOCATE(boundaryEM(1:nBoundaryEM)) - DO i = 1, nBoundaryEM - WRITE(istring, '(I2)') i - object = 'boundaryEM(' // trim(istring) // ')' + DO b = 1, nBoundaryEM + WRITE(bString, '(I2)') b + object = 'boundaryEM(' // trim(bString) // ')' - CALL config%get(object // '.type', boundEM(i)%typeEM, found) + CALL config%get(object // '.type', typeEM, found) - SELECT CASE(boundEM(i)%typeEM) + SELECT CASE(typeEM) CASE ("dirichlet") - CALL config%get(object // '.potential', boundEM(i)%potential, found) - IF (.NOT. found) & + CALL config%get(object // '.potential', potential, found) + IF (.NOT. found) THEN CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') - boundEM(i)%potential = boundEM(i)%potential/Volt_ref - CALL config%get(object // '.physicalSurface', boundEM(i)%physicalSurface, found) - IF (.NOT. found) & + END IF + + CALL config%get(object // '.physicalSurface', physicalSurface, found) + IF (.NOT. found) THEN CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') + END IF + + CALL initDirichlet(boundaryEM(b)%obj, physicalSurface, potential) + CASE ("dirichletTime") - CALL config%get(object // '.potential', boundEM(i)%potential, found) - IF (.NOT. found) & + CALL config%get(object // '.potential', potential, found) + IF (.NOT. found) THEN CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') - boundEM(i)%potential = boundEM(i)%potential/Volt_ref + + END IF + + CALL config%get(object // '.physicalSurface', physicalSurface, found) + IF (.NOT. found) THEN + CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') + + END IF CASE DEFAULT - CALL criticalError('Boundary type ' // boundEM(i)%typeEM // ' not yet supported', 'readEMBoundary') + CALL criticalError('Boundary type ' // typeEM // ' not yet supported', 'readEMBoundary') END SELECT @@ -1199,18 +1213,28 @@ MODULE moduleInput END DO - IF (ALLOCATED(boundEM)) THEN - DO e = 1, mesh%numEdges - IF (ANY(mesh%edges(e)%obj%physicalSurface == boundEM(:)%physicalSurface)) THEN - DO i = 1, nBoundaryEM - IF (mesh%edges(e)%obj%physicalSurface == boundEM(i)%physicalSurface) THEN - CALL boundEM(i)%apply(mesh%edges(e)%obj) + ! Modify K matrix due to boundary conditions + DO b = 1, nBoundaryEM + SELECT TYPE(boundary => boundaryEM(b)%obj) + TYPE IS(boundaryEMDirichlet) + DO n = 1, boundary%nNodes + ni = boundary%nodes(n)%obj%n + mesh%K(ni, :) = 0.D0 + mesh%K(ni, ni) = 1.D0 - END IF - END DO - END IF - END DO - END IF + END DO + + TYPE IS(boundaryEMDirichletTime) + DO n = 1, boundary%nNodes + ni = boundary%nodes(n)%obj%n + mesh%K(ni, :) = 0.D0 + mesh%K(ni, ni) = 1.D0 + + END DO + + END SELECT + + END DO !Compute the PLU factorization of K once boundary conditions have been read CALL dgetrf(mesh%numNodes, mesh%numNodes, mesh%K, mesh%numNodes, mesh%IPIV, info) @@ -1231,13 +1255,13 @@ MODULE moduleInput TYPE(json_file), INTENT(inout):: config INTEGER:: i - CHARACTER(2):: istring + CHARACTER(2):: iString CHARACTER(:), ALLOCATABLE:: object LOGICAL:: found CHARACTER(:), ALLOCATABLE:: speciesName CHARACTER(:), ALLOCATABLE:: name REAL(8):: v - REAL(8), ALLOCATABLE:: T(:), normal(:) + REAL(8), ALLOCATABLE:: temperature(:), normal(:) REAL(8):: flow CHARACTER(:), ALLOCATABLE:: units INTEGER:: physicalSurface @@ -1248,8 +1272,8 @@ MODULE moduleInput ALLOCATE(inject(1:nInject)) nPartInj = 0 DO i = 1, nInject - WRITE(istring, '(i2)') i - object = 'inject(' // trim(istring) // ')' + WRITE(iString, '(i2)') i + object = 'inject(' // trim(iString) // ')' !Find species CALL config%get(object // '.species', speciesName, found) @@ -1257,7 +1281,7 @@ MODULE moduleInput CALL config%get(object // '.name', name, found) CALL config%get(object // '.v', v, found) - CALL config%get(object // '.T', T, found) + CALL config%get(object // '.T', temperature, found) CALL config%get(object // '.n', normal, found) IF (.NOT. found) THEN ALLOCATE(normal(1:3)) @@ -1269,7 +1293,7 @@ MODULE moduleInput particlesPerEdge = 0 CALL config%get(object // '.particlesPerEdge', particlesPerEdge, found) - CALL inject(i)%init(i, v, normal, T, flow, units, sp, physicalSurface, particlesPerEdge) + CALL inject(i)%init(i, v, normal, temperature, flow, units, sp, physicalSurface, particlesPerEdge) CALL readVelDistr(config, inject(i), object) @@ -1329,28 +1353,28 @@ MODULE moduleInput TYPE(injectGeneric), INTENT(inout):: inj CHARACTER(:), ALLOCATABLE, INTENT(in):: object INTEGER:: i - CHARACTER(2):: istring + CHARACTER(2):: iString CHARACTER(:), ALLOCATABLE:: fvType LOGICAL:: found - REAL(8):: v, T, m + REAL(8):: v, temperature, m !Reads species mass m = inj%species%m !Reads distribution functions for velocity DO i = 1, 3 - WRITE(istring, '(i2)') i - CALL config%get(object // '.velDist('// TRIM(istring) //')', fvType, found) - IF (.NOT. found) CALL criticalError("No velocity distribution in direction " // istring // & + WRITE(iString, '(i2)') i + CALL config%get(object // '.velDist('// TRIM(iString) //')', fvType, found) + IF (.NOT. found) CALL criticalError("No velocity distribution in direction " // iString // & " found for " // object, 'readVelDistr') SELECT CASE(fvType) CASE ("Maxwellian") - T = inj%T(i) - CALL initVelDistMaxwellian(inj%v(i)%obj, t, m) + temperature = inj%temperature(i) + CALL initVelDistMaxwellian(inj%v(i)%obj, temperature, m) CASE ("Half-Maxwellian") - T = inj%T(i) - CALL initVelDistHalfMaxwellian(inj%v(i)%obj, t, m) + temperature = inj%temperature(i) + CALL initVelDistHalfMaxwellian(inj%v(i)%obj, temperature, m) CASE ("Delta") v = inj%vMod*inj%n(i) diff --git a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 index 97ec729..c0dcfbb 100644 --- a/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 +++ b/src/modules/mesh/inout/0D/moduleMeshOutput0D.f90 @@ -1,22 +1,22 @@ MODULE moduleMeshOutput0D CONTAINS - SUBROUTINE printOutput0D(self, t) + SUBROUTINE printOutput0D(self) USE moduleMesh USE moduleRefParam USE moduleSpecies USE moduleOutput + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: i TYPE(outputFormat):: output CHARACTER(:), ALLOCATABLE:: fileName DO i = 1, nSpecies fileName='OUTPUT_' // species(i)%obj%name // '.dat' - IF (t == 0) THEN + IF (timeStep == 0) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') WRITE(20, "(A1, 14X, A5, A20, 40X, A20, 2(A20))") "#","t (s)","density (m^-3)", "velocity (m/s)", & "pressure (Pa)", "temperature (K)" @@ -27,14 +27,17 @@ MODULE moduleMeshOutput0D OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') CALL calculateOutput(self%nodes(1)%obj%output(i), output, self%nodes(1)%obj%v, species(i)%obj) - WRITE(20, "(7(ES20.6E3))") REAL(t)*tauMin*ti_ref, output%density, output%velocity, output%pressure, output%temperature + WRITE(20, "(7(ES20.6E3))") REAL(timeStep)*tauMin*ti_ref, output%density, & + output%velocity, & + output%pressure, & + output%temperature CLOSE(20) END DO END SUBROUTINE printOutput0D - SUBROUTINE printColl0D(self, t) + SUBROUTINE printColl0D(self) USE moduleMesh USE moduleRefParam USE moduleCaseParam @@ -43,12 +46,11 @@ MODULE moduleMeshOutput0D IMPLICIT NONE CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t CHARACTER(:), ALLOCATABLE:: fileName INTEGER:: k fileName='OUTPUT_Collisions.dat' - IF (t == tInitial) THEN + IF (timeStep == tInitial) THEN OPEN(20, file = path // folder // '/' // fileName, action = 'write') WRITE(20, "(A1, 14X, A5, A20)") "#","t (s)","collisions" WRITE(*, "(6X,A15,A)") "Creating file: ", fileName @@ -57,12 +59,12 @@ MODULE moduleMeshOutput0D END IF OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE(20, "(ES20.6E3, 10I20)") REAL(t)*tauMin*ti_ref, (self%cells(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) + WRITE(20, "(ES20.6E3, 10I20)") REAL(timeStep)*tauMin*ti_ref, (self%cells(1)%obj%tallyColl(k)%tally, k=1,nCollPairs) CLOSE(20) END SUBROUTINE printColl0D - SUBROUTINE printEM0D(self, t) + SUBROUTINE printEM0D(self) USE moduleMesh USE moduleRefParam USE moduleCaseParam @@ -70,7 +72,6 @@ MODULE moduleMeshOutput0D IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t END SUBROUTINE printEM0D diff --git a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 index ccdcf3d..8176bb5 100644 --- a/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 +++ b/src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90 @@ -80,50 +80,50 @@ MODULE moduleMeshOutputGmsh2 END SUBROUTINE writeGmsh2FooterElementData !Prints the scattered properties of particles into the nodes - SUBROUTINE printOutputGmsh2(self, t) + SUBROUTINE printOutputGmsh2(self) USE moduleMesh USE moduleRefParam USE moduleSpecies USE moduleOutput USE moduleMeshInoutCommon + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: n, i TYPE(outputFormat):: output(1:self%numNodes) REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName - time = DBLE(t)*tauMin*ti_ref + time = DBLE(timeStep)*tauMin*ti_ref DO i = 1, nSpecies - fileName = formatFileName(prefix, species(i)%obj%name, 'msh', t) + fileName = formatFileName(prefix, species(i)%obj%name, 'msh', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) CALL writeGmsh2HeaderMesh(60) - CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' density (m^-3)', t, time, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' density (m^-3)', timeStep, time, 1, self%numNodes) DO n=1, self%numNodes CALL calculateOutput(self%nodes(n)%obj%output(i), output(n), self%nodes(n)%obj%v, species(i)%obj) WRITE(60, "(I6,ES20.6E3)") n, output(n)%density END DO CALL writeGmsh2FooterNodeData(60) - CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' velocity (m s^-1)', t, time, 3, self%numNodes) + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' velocity (m s^-1)', timeStep, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%velocity END DO CALL writeGmsh2FooterNodeData(60) - CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Pressure (Pa)', t, time, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Pressure (Pa)', timeStep, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%pressure END DO CALL writeGmsh2FooterNodeData(60) - CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Temperature (K)', t, time, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(60, species(i)%obj%name // ' Temperature (K)', timeStep, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(60, "(I6,3(ES20.6E3))") n, output(n)%temperature END DO @@ -135,7 +135,7 @@ MODULE moduleMeshOutputGmsh2 END SUBROUTINE printOutputGmsh2 !Prints the number of collisions into the volumes - SUBROUTINE printCollGmsh2(self, t) + SUBROUTINE printCollGmsh2(self) USE moduleMesh USE moduleRefParam USE moduleCaseParam @@ -145,7 +145,6 @@ MODULE moduleMeshOutputGmsh2 IMPLICIT NONE CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: numEdges INTEGER:: k, c INTEGER:: n @@ -167,9 +166,9 @@ MODULE moduleMeshOutputGmsh2 END SELECT IF (collOutput) THEN - time = DBLE(t)*tauMin*ti_ref + time = DBLE(timeStep)*tauMin*ti_ref - fileName = formatFileName(prefix, 'Collisions', 'msh', t) + fileName = formatFileName(prefix, 'Collisions', 'msh', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (60, file = path // folder // '/' // fileName) @@ -179,7 +178,7 @@ MODULE moduleMeshOutputGmsh2 DO c = 1, interactionMatrix(k)%amount WRITE(cString, "(I2)") c title = '"Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString - CALL writeGmsh2HeaderElementData(60, title, t, time, 1, self%numCells) + CALL writeGmsh2HeaderElementData(60, title, timeStep, time, 1, self%numCells) DO n=1, self%numCells WRITE(60, "(I6,I10)") n + numEdges, self%cells(n)%obj%tallyColl(k)%tally(c) END DO @@ -196,7 +195,7 @@ MODULE moduleMeshOutputGmsh2 END SUBROUTINE printCollGmsh2 !Prints the electrostatic EM properties into the nodes and volumes - SUBROUTINE printEMGmsh2(self, t) + SUBROUTINE printEMGmsh2(self) USE moduleMesh USE moduleRefParam USE moduleCaseParam @@ -205,7 +204,6 @@ MODULE moduleMeshOutputGmsh2 IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: n, e REAL(8):: time CHARACTER(:), ALLOCATABLE:: fileName @@ -214,27 +212,27 @@ MODULE moduleMeshOutputGmsh2 Xi = (/ 0.D0, 0.D0, 0.D0 /) IF (emOutput) THEN - time = DBLE(t)*tauMin*ti_ref + time = DBLE(timeStep)*tauMin*ti_ref - fileName = formatFileName(prefix, 'EMField', 'msh', t) + fileName = formatFileName(prefix, 'EMField', 'msh', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (20, file = path // folder // '/' // fileName) CALL writeGmsh2HeaderMesh(20) - CALL writeGmsh2HeaderNodeData(20, 'Potential (V)', t, time, 1, self%numNodes) + CALL writeGmsh2HeaderNodeData(20, 'Potential (V)', timeStep, time, 1, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%phi*Volt_ref END DO CALL writeGmsh2FooterNodeData(20) - CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', t, time, 3, self%numCells) + CALL writeGmsh2HeaderElementData(20, 'Electric Field (V m^-1)', timeStep, time, 3, self%numCells) DO e=1, self%numCells WRITE(20, *) e+self%numEdges, self%cells(e)%obj%gatherElectricField(Xi)*EF_ref END DO CALL writeGmsh2FooterElementData(20) - CALL writeGmsh2HeaderNodeData(20, 'Magnetic Field (T)', t, time, 3, self%numNodes) + CALL writeGmsh2HeaderNodeData(20, 'Magnetic Field (T)', timeStep, time, 3, self%numNodes) DO n=1, self%numNodes WRITE(20, *) n, self%nodes(n)%obj%emData%B * B_ref END DO diff --git a/src/modules/mesh/inout/moduleMeshInoutCommon.f90 b/src/modules/mesh/inout/moduleMeshInoutCommon.f90 index e4a6c72..7dc2e84 100644 --- a/src/modules/mesh/inout/moduleMeshInoutCommon.f90 +++ b/src/modules/mesh/inout/moduleMeshInoutCommon.f90 @@ -3,17 +3,17 @@ MODULE moduleMeshInoutCommon CHARACTER(LEN=4):: prefix = 'Step' CONTAINS - PURE FUNCTION formatFileName(prefix, suffix, extension, t) RESULT(fileName) + PURE FUNCTION formatFileName(prefix, suffix, extension, timeStep) RESULT(fileName) USE moduleOutput IMPLICIT NONE CHARACTER(*), INTENT(in):: prefix, suffix, extension - INTEGER, INTENT(in), OPTIONAL:: t + INTEGER, INTENT(in), OPTIONAL:: timeStep CHARACTER (LEN=iterationDigits):: tString CHARACTER(:), ALLOCATABLE:: fileName - IF (PRESENT(t)) THEN - WRITE(tString, iterationFormat) t + IF (PRESENT(timeStep)) THEN + WRITE(tString, iterationFormat) timeStep fileName = prefix // '_' // tString // '_' // suffix // '.' // extension ELSE diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index 184d645..e07db01 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -167,7 +167,7 @@ MODULE moduleMeshInputVTU CLASS(meshGeneric), INTENT(inout):: self CHARACTER(:), ALLOCATABLE, INTENT(in):: filename REAL(8):: r(1:3) !3 generic coordinates - INTEGER:: fileID, error, found + INTEGER:: fileID CHARACTER(LEN=256):: line INTEGER:: numNodes, numElements, numEdges INTEGER, ALLOCATABLE, DIMENSION(:):: entitiesID, offsets, connectivity, types diff --git a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 index da90b6b..81e4bbf 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 @@ -215,17 +215,16 @@ MODULE moduleMeshOutputVTU END SUBROUTINE writeEM - SUBROUTINE writeCollection(fileID, t, fileNameStep, fileNameCollection) + SUBROUTINE writeCollection(fileID, fileNameStep, fileNameCollection) USE moduleCaseParam USE moduleOutput USE moduleRefParam IMPLICIT NONE INTEGER:: fileID - INTEGER, INTENT(in):: t CHARACTER(*):: fileNameStep, fileNameCollection - IF (t == tInitial) THEN + IF (timeStep == tInitial) THEN !Create collection file WRITE(*, "(6X,A15,A)") "Creating file: ", fileNameCollection OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection) @@ -237,10 +236,11 @@ MODULE moduleMeshOutputVTU !Write iteration file in collection OPEN (fileID + 1, file = path // folder // '/' // fileNameCollection, ACCESS='APPEND') - WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)") '' + WRITE(fileID + 1, "(4X, A, ES20.6E3, A, A, A)") & + '' !Close collection file - IF (t == tFinal) THEN + IF (timeStep == tFinal) THEN WRITE (fileID + 1, "(2X, A)") '' WRITE (fileID + 1, "(A)") '' @@ -307,21 +307,21 @@ MODULE moduleMeshOutputVTU END SUBROUTINE writeAverage - SUBROUTINE printOutputVTU(self,t) + SUBROUTINE printOutputVTU(self) USE moduleMesh USE moduleSpecies USE moduleMeshInoutCommon + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: i, fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection fileID = 60 DO i = 1, nSpecies - fileName = formatFileName(prefix, species(i)%obj%name, 'vtu', t) + fileName = formatFileName(prefix, species(i)%obj%name, 'vtu', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (fileID, file = path // folder // '/' // fileName) @@ -337,28 +337,27 @@ MODULE moduleMeshOutputVTU !Write collection file for time plotting fileNameCollection = formatFileName('Collection', species(i)%obj%name, 'pvd') - CALL writeCollection(fileID, t, fileName, filenameCollection) + CALL writeCollection(fileID, fileName, filenameCollection) END DO END SUBROUTINE printOutputVTU - SUBROUTINE printCollVTU(self,t) + SUBROUTINE printCollVTU(self) USE moduleMesh USE moduleOutput USE moduleMeshInoutCommon + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection - CHARACTER (LEN=iterationDigits):: tstring fileID = 62 IF (collOutput) THEN - fileName = formatFileName(prefix, 'Collisions', 'vtu', t) + fileName = formatFileName(prefix, 'Collisions', 'vtu', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (fileID, file = path // folder // '/' // fileName) @@ -374,26 +373,26 @@ MODULE moduleMeshOutputVTU !Write collection file for time plotting fileNameCollection = formatFileName('Collection', 'Collisions', 'pvd') - CALL writeCollection(fileID, t, fileName, filenameCollection) + CALL writeCollection(fileID, fileName, filenameCollection) END IF END SUBROUTINE printCollVTU - SUBROUTINE printEMVTU(self, t) + SUBROUTINE printEMVTU(self) USE moduleMesh USE moduleMeshInoutCommon + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t INTEGER:: fileID CHARACTER(:), ALLOCATABLE:: fileName, fileNameCollection fileID = 64 IF (emOutput) THEN - fileName = formatFileName(prefix, 'EMField', 'vtu', t) + fileName = formatFileName(prefix, 'EMField', 'vtu', timeStep) WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (fileID, file = path // folder // '/' // fileName) @@ -409,7 +408,7 @@ MODULE moduleMeshOutputVTU !Write collection file for time plotting fileNameCollection = formatFileName('Collection', 'EMField', 'pvd') - CALL writeCollection(fileID, t, fileName, filenameCollection) + CALL writeCollection(fileID, fileName, filenameCollection) END IF diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index ae53aa0..f933dd1 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -372,10 +372,9 @@ MODULE moduleMesh END SUBROUTINE connectMesh_interface !Prints number of collisions in each cell - SUBROUTINE printColl_interface(self, t) + SUBROUTINE printColl_interface(self) IMPORT meshGeneric CLASS(meshGeneric), INTENT(in):: self - INTEGER, INTENT(in):: t END SUBROUTINE printColl_interface @@ -403,18 +402,16 @@ MODULE moduleMesh ABSTRACT INTERFACE !Prints Species data - SUBROUTINE printOutput_interface(self, t) + SUBROUTINE printOutput_interface(self) IMPORT meshParticles CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t END SUBROUTINE printOutput_interface !Prints EM info - SUBROUTINE printEM_interface(self, t) + SUBROUTINE printEM_interface(self) IMPORT meshParticles CLASS(meshParticles), INTENT(in):: self - INTEGER, INTENT(in):: t END SUBROUTINE printEM_interface @@ -789,7 +786,7 @@ MODULE moduleMesh END FUNCTION findCellBrute !Computes collisions in element - SUBROUTINE doCollisions(self, t) + SUBROUTINE doCollisions(self) USE moduleCollisions USE moduleSpecies USE moduleList @@ -797,10 +794,10 @@ MODULE moduleMesh USE moduleRandom USE moduleOutput USE moduleMath + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(meshGeneric), INTENT(inout), TARGET:: self - INTEGER, INTENT(in):: t INTEGER:: e CLASS(meshCell), POINTER:: cell INTEGER:: k, i, j @@ -816,7 +813,7 @@ MODULE moduleMesh REAL(8):: rnd_real !Random number for collision INTEGER:: rnd_int !Random number for collision - IF (MOD(t, everyColl) == 0) THEN + IF (MOD(timeStep, everyColl) == 0) THEN !Collisions need to be performed in this iteration !$OMP DO SCHEDULE(DYNAMIC) PRIVATE(part_i, part_j, partTemp_i, partTemp_j) DO e=1, self%numCells diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 18c7fbb..5b96be2 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -54,7 +54,7 @@ MODULE moduleInject INTEGER:: id CHARACTER(:), ALLOCATABLE:: name REAL(8):: vMod !Velocity (module) - REAL(8):: T(1:3) !Temperature + REAL(8):: temperature(1:3) !Temperature REAL(8):: n(1:3) !Direction of injection LOGICAL:: fixDirection !The injection of particles has a fix direction defined by n INTEGER:: nParticles !Number of particles to introduce each time step @@ -76,7 +76,7 @@ MODULE moduleInject CONTAINS !Initialize an injection of particles - SUBROUTINE initInject(self, i, v, n, T, flow, units, sp, physicalSurface, particlesPerEdge) + SUBROUTINE initInject(self, i, v, n, temperature, flow, units, sp, physicalSurface, particlesPerEdge) USE moduleMesh USE moduleRefParam USE moduleConstParam @@ -87,7 +87,7 @@ MODULE moduleInject CLASS(injectGeneric), INTENT(inout):: self INTEGER, INTENT(in):: i - REAL(8), INTENT(in):: v, n(1:3), T(1:3) + REAL(8), INTENT(in):: v, n(1:3), temperature(1:3) INTEGER, INTENT(in):: sp, physicalSurface, particlesPerEdge REAL(8):: tauInject REAL(8), INTENT(in):: flow @@ -97,10 +97,10 @@ MODULE moduleInject INTEGER:: nVolColl REAL(8):: fluxPerStep = 0.D0 - self%id = i - self%vMod = v / v_ref - self%n = n / NORM2(n) - self%T = T / T_ref + self%id = i + self%vMod = v / v_ref + self%n = n / NORM2(n) + self%temperature = temperature / T_ref !Gets the edge elements from which particles are injected DO e = 1, mesh%numEdges phSurface(e) = mesh%edges(e)%obj%physicalSurface @@ -232,23 +232,23 @@ MODULE moduleInject END SUBROUTINE doInjects - SUBROUTINE initVelDistMaxwellian(velDist, T, m) + SUBROUTINE initVelDistMaxwellian(velDist, temperature, m) IMPLICIT NONE CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist - REAL(8), INTENT(in):: T, m + REAL(8), INTENT(in):: temperature, m - velDist = velDistMaxwellian(vTh = DSQRT(T/m)) + velDist = velDistMaxwellian(vTh = DSQRT(temperature/m)) END SUBROUTINE initVelDistMaxwellian - SUBROUTINE initVelDistHalfMaxwellian(velDist, T, m) + SUBROUTINE initVelDistHalfMaxwellian(velDist, temperature, m) IMPLICIT NONE CLASS(velDistGeneric), ALLOCATABLE, INTENT(out):: velDist - REAL(8), INTENT(in):: T, m + REAL(8), INTENT(in):: temperature, m - velDist = velDistHalfMaxwellian(vTh = DSQRT(T/m)) + velDist = velDistHalfMaxwellian(vTh = DSQRT(temperature/m)) END SUBROUTINE initVelDistHalfMaxwellian diff --git a/src/modules/moduleProbe.f90 b/src/modules/moduleProbe.f90 index c29eeda..754d56a 100644 --- a/src/modules/moduleProbe.f90 +++ b/src/modules/moduleProbe.f90 @@ -27,7 +27,7 @@ MODULE moduleProbe CONTAINS !Functions for probeDistFunc type - SUBROUTINE init(self, id, speciesName, r, v1, v2, v3, points, timeStep) + SUBROUTINE init(self, id, speciesName, r, v1, v2, v3, points, everyTimeStep) USE moduleCaseParam USE moduleRefParam USE moduleSpecies @@ -41,7 +41,7 @@ MODULE moduleProbe REAL(8), INTENT(in):: r(1:3) REAL(8), INTENT(in):: v1(1:2), v2(1:2), v3(1:2) INTEGER, INTENT(in):: points(1:3) - REAL(8), INTENT(in):: timeStep + REAL(8), INTENT(in):: everyTimeStep INTEGER:: sp, i REAL(8):: dv(1:3) @@ -91,11 +91,11 @@ MODULE moduleProbe 1:self%nv(3))) !Number of iterations between output - IF (timeStep == 0.D0) THEN + IF (everyTimeStep == 0.D0) THEN self%every = 1 ELSE - self%every = NINT(timeStep/ tauMin / ti_ref) + self%every = NINT(everyTimeStep/ tauMin / ti_ref) END IF @@ -189,13 +189,13 @@ MODULE moduleProbe END SUBROUTINE calculate - SUBROUTINE output(self, t) + SUBROUTINE output(self) USE moduleOutput USE moduleRefParam + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE CLASS(probeDistFunc), INTENT(inout):: self - INTEGER, INTENT(in):: t CHARACTER (LEN=iterationDigits):: tstring CHARACTER (LEN=3):: pstring CHARACTER(:), ALLOCATABLE:: filename @@ -204,14 +204,14 @@ MODULE moduleProbe !Divide by the velocity cube volume self%f = self%f * self%dvInv - WRITE(tstring, iterationFormat) t + WRITE(tstring, iterationFormat) timeStep WRITE(pstring, "(I3.3)") self%id fileName='Probe_' // tstring// '_f_' // pstring // '.dat' WRITE(*, "(6X,A15,A)") "Creating file: ", fileName OPEN (10, file = path // folder // '/' // fileName) WRITE(10, "(A1, 1X, A)") "# ", self%species%name WRITE(10, "(A6, 3(ES15.6E3), A2)") "# r = ", self%r(:)*L_ref, " m" - WRITE(10, "(A6, ES15.6E3, A2)") "# t = ", REAL(t)*tauMin*ti_ref, " s" + WRITE(10, "(A6, ES15.6E3, A2)") "# t = ", REAL(timeStep)*tauMin*ti_ref, " s" WRITE(10, "(A1, A19, 3(A20))") "#", "v1 (m s^-1)", "v2 (m s^-1)", "v3 (m s^-1)", "f" DO i = 1, self%nv(1) DO j = 1, self%nv(2) @@ -252,15 +252,15 @@ MODULE moduleProbe END SUBROUTINE doProbes - SUBROUTINE outputProbes(t) + SUBROUTINE outputProbes() + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE - INTEGER, INTENT(in):: t INTEGER:: i DO i = 1, nProbes IF (probe(i)%update) THEN - CALL probe(i)%output(t) + CALL probe(i)%output() END IF @@ -268,15 +268,15 @@ MODULE moduleProbe END SUBROUTINE outputProbes - SUBROUTINE resetProbes(t) + SUBROUTINE resetProbes() + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE - INTEGER, INTENT(in):: t INTEGER:: i DO i = 1, nProbes probe(i)%f = 0.D0 - probe(i)%update = t == tFinal .OR. t == tInitial .OR. MOD(t, probe(i)%every) == 0 + probe(i)%update = timeStep == tFinal .OR. timeStep == tInitial .OR. MOD(timeStep, probe(i)%every) == 0 END DO diff --git a/src/modules/output/moduleOutput.f90 b/src/modules/output/moduleOutput.f90 index 18fbb7f..e6dc91f 100644 --- a/src/modules/output/moduleOutput.f90 +++ b/src/modules/output/moduleOutput.f90 @@ -160,12 +160,12 @@ MODULE moduleOutput END SUBROUTINE calculateOutput - SUBROUTINE printTime(t, first) + SUBROUTINE printTime(first) USE moduleSpecies USE moduleCompTime + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE - INTEGER, INTENT(in):: t LOGICAL, INTENT(in), OPTIONAL:: first CHARACTER(:), ALLOCATABLE:: fileName @@ -187,7 +187,7 @@ MODULE moduleOutput OPEN(20, file = path // folder // '/' // fileName, position = 'append', action = 'write') - WRITE (20, "(I10, I10, 7(ES20.6E3))") t, nPartOld, tStep, tPush, tReset, tColl, tCoul, tWeight, tEMField + WRITE (20, "(I10, I10, 7(ES20.6E3))") timeStep, nPartOld, tStep, tPush, tReset, tColl, tCoul, tWeight, tEMField CLOSE(20) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index a141eac..30a23ad 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -1,6 +1,7 @@ !Module to solve the electromagnetic field MODULE moduleEM USE moduleMesh + USE moduleTable IMPLICIT NONE ! Array of pointers to nodes. @@ -11,57 +12,155 @@ MODULE moduleEM END TYPE meshNodePointer - - ! TODO: Make this a derived type. - TYPE:: boundaryEM - CHARACTER(:), ALLOCATABLE:: typeEM - INTEGER:: physicalSurface - REAL(8):: potential + ! Generic type for electromagnetic boundary conditions + TYPE, PUBLIC, ABSTRACT:: boundaryEMGeneric + INTEGER:: nNodes TYPE(meshNodePointer), ALLOCATABLE:: nodes(:) CONTAINS - PROCEDURE, PASS:: apply + PROCEDURE(applyEM_interface), DEFERRED, PASS:: apply !PROCEDURE, PASS:: update !only for time dependent boundary conditions or maybe change apply????? That might be better. - END TYPE boundaryEM + END TYPE boundaryEMGeneric + + ABSTRACT INTERFACE + ! Apply boundary condition to the load vector for the Poission equation + SUBROUTINE applyEM_interface(self, vectorF) + IMPORT boundaryEMGeneric + CLASS(boundaryEMGeneric), INTENT(in):: self + REAL(8), INTENT(inout):: vectorF(:) + + END SUBROUTINE applyEM_interface + + END INTERFACE + + TYPE, EXTENDS(boundaryEMGeneric):: boundaryEMDirichlet + REAL(8):: potential + + CONTAINS + ! boundaryEMGeneric DEFERRED PROCEDURES + PROCEDURE, PASS:: apply => applyDirichlet + + END TYPE boundaryEMDirichlet + + TYPE, EXTENDS(boundaryEMGeneric):: boundaryEMDirichletTime + REAL(8):: potential + TYPE(table1D):: temporalProfile + + CONTAINS + ! boundaryEMGeneric DEFERRED PROCEDURES + PROCEDURE, PASS:: apply => applyDirichletTime + + END TYPE boundaryEMDirichletTime + + ! Container for boundary conditions + TYPE:: boundaryEMCont + CLASS(boundaryEMGeneric), ALLOCATABLE:: obj + + END TYPE boundaryEMCont INTEGER:: nBoundaryEM - TYPE(boundaryEM), ALLOCATABLE:: boundEM(:) + TYPE(boundaryEMCont), ALLOCATABLE:: boundaryEM(:) !Information of charge and reference parameters for rho vector REAL(8), ALLOCATABLE:: qSpecies(:) CONTAINS - !Apply boundary conditions to the K matrix for Poisson's equation - SUBROUTINE apply(self, edge) + ! Initialize Dirichlet boundary condition + SUBROUTINE initDirichlet(self, physicalSurface, potential) + USE moduleMesh + USE moduleRefParam, ONLY: Volt_ref + IMPLICIT NONE + + CLASS(boundaryEMGeneric), ALLOCATABLE, INTENT(out):: self + INTEGER:: physicalSurface + REAL(8), INTENT(in):: potential + CLASS(meshEdge), POINTER:: edge + INTEGER, ALLOCATABLE:: nodes(:), nodesEdge(:) + INTEGER:: nNodes, nodesNew + INTEGER:: e, n + + ! Allocate boundary edge + ALLOCATE(boundaryEMDirichlet:: self) + + SELECT TYPE(self) + TYPE IS(boundaryEMDirichlet) + self%potential = potential / Volt_ref + + !TODO: This is going into a function + !Temporal array to hold nodes + ALLOCATE(nodes(0)) + + ! Loop thorugh the edges and identify those that are part of the boundary + DO e = 1, mesh%numEdges + edge => mesh%edges(e)%obj + IF (edge%physicalSurface == physicalSurface) THEN + ! Edge is of the right boundary index + ! Get nodes in the edge + nNodes = edge%nNodes + nodesEdge = edge%getNodes(nNodes) + ! Collect all nodes that are not already in the temporal array + DO n = 1, nNodes + IF (ANY(nodes == nodesEdge(n))) THEN + ! Node already in array, skip + CYCLE + + ELSE + ! If not, add element to array of nodes + nodes = [nodes, nodesEdge(n)] + + END IF + + END DO + + END IF + + END DO + + ! Point boundary to nodes + nNodes = SIZE(nodes) + ALLOCATE(self%nodes(nNodes)) + DO n = 1, nNodes + self%nodes(n)%obj => mesh%nodes(nodes(n))%obj + + END DO + + END SELECT + + END SUBROUTINE initDirichlet + + !Apply Dirichlet boundary condition to the poisson equation + SUBROUTINE applyDirichlet(self, vectorF) USE moduleMesh IMPLICIT NONE - CLASS(boundaryEM), INTENT(in):: self - CLASS(meshEdge):: edge - INTEGER:: nNodes - INTEGER, ALLOCATABLE:: nodes(:) - INTEGER:: n + CLASS(boundaryEMDirichlet), INTENT(in):: self + REAL(8), INTENT(inout):: vectorF(:) + INTEGER:: n, ni - nNodes = 1 - nNodes = edge%nNodes - nodes = edge%getNodes(nNodes) - - DO n = 1, nNodes - SELECT CASE(self%typeEM) - CASE ("dirichlet") - mesh%K(nodes(n), :) = 0.D0 - mesh%K(nodes(n), nodes(n)) = 1.D0 - - ! TODO: Change this to pointer - mesh%nodes(nodes(n))%obj%emData%type = self%typeEM - mesh%nodes(nodes(n))%obj%emData%phi = self%potential - - END SELECT + DO n = 1, self%nNodes + self%nodes(n)%obj%emData%phi = self%potential END DO - END SUBROUTINE apply + END SUBROUTINE applyDirichlet + + !Apply Dirichlet boundary condition with time temporal profile + SUBROUTINE applyDirichletTime(self, vectorF) + USE moduleMesh + USE moduleCaseParam, ONLY: timeStep, tauMin + IMPLICIT NONE + + CLASS(boundaryEMDirichletTime), INTENT(in):: self + REAL(8), INTENT(inout):: vectorF(:) + INTEGER:: n, ni + + DO n = 1, self%nNodes + self%nodes(n)%obj%emData%phi = self%potential + + END DO + + END SUBROUTINE applyDirichletTime !Assemble the source vector based on the charge density to solve Poisson's equation SUBROUTINE assembleSourceVector(vectorF) @@ -74,13 +173,14 @@ MODULE moduleEM INTEGER, ALLOCATABLE:: nodes(:) REAL(8), ALLOCATABLE:: rho(:) INTEGER:: nNodes - INTEGER:: e, i, ni + INTEGER:: e, i, ni, b CLASS(meshNode), POINTER:: node !$OMP SINGLE vectorF = 0.D0 !$OMP END SINGLE + ! Calculate charge density in each node !$OMP DO REDUCTION(+:vectorF) DO e = 1, mesh%numCells nNodes = mesh%cells(e)%obj%nNodes @@ -112,18 +212,12 @@ MODULE moduleEM !$OMP END DO !Apply boundary conditions - !$OMP DO - DO i = 1, mesh%numNodes - node => mesh%nodes(i)%obj - - SELECT CASE(node%emData%type) - CASE ("dirichlet") - vectorF(i) = node%emData%phi - - END SELECT + !$OMP SINGLE + DO b = 1, nBoundaryEM + CALL boundaryEM(b)%obj%apply(vectorF) END DO - !$OMP END DO + !$OMP END SINGLE END SUBROUTINE assembleSourceVector diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index 0b2837f..5928508 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -491,47 +491,46 @@ MODULE moduleSolver END SUBROUTINE updateParticleCell !Update the information about if a species needs to be moved this iteration - SUBROUTINE updatePushSpecies(self, t) + SUBROUTINE updatePushSpecies(self) USE moduleSpecies + USE moduleCaseparam, ONLY: timeStep IMPLICIT NONE CLASS(solverGeneric), INTENT(inout):: self - INTEGER, INTENT(in):: t INTEGER:: s DO s=1, nSpecies - self%pusher(s)%pushSpecies = MOD(t, self%pusher(s)%every) == 0 + self%pusher(s)%pushSpecies = MOD(timeStep, self%pusher(s)%every) == 0 END DO END SUBROUTINE updatePushSpecies !Output the different data and information - SUBROUTINE doOutput(t) + SUBROUTINE doOutput() USE moduleMesh USE moduleOutput USE moduleSpecies USE moduleCompTime USE moduleProbe + USE moduleCaseParam, ONLY: timeStep IMPLICIT NONE - INTEGER, INTENT(in):: t - - CALL outputProbes(t) + CALL outputProbes() counterOutput = counterOutput + 1 IF (counterOutput >= triggerOutput .OR. & - t == tFinal .OR. t == tInitial) THEN + timeStep == tFinal .OR. timeStep == tInitial) THEN !Resets output counter counterOutput=0 - CALL mesh%printOutput(t) - IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl(t) - CALL mesh%printEM(t) - WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", t, "/", tFinal + CALL mesh%printOutput() + IF (ASSOCIATED(meshForMCC)) CALL meshForMCC%printColl() + CALL mesh%printEM() + WRITE(*, "(5X,A21,I10,A1,I10)") "t/tFinal: ", timeStep, "/", tFinal WRITE(*, "(5X,A21,I10)") "Particles: ", nPartOld - IF (t == 0) THEN + IF (timeStep == 0) THEN WRITE(*, "(5X,A21,F8.1,A2)") " init time: ", 1.D3*tStep, "ms" ELSE @@ -549,34 +548,32 @@ MODULE moduleSolver counterCPUTime = counterCPUTime + 1 IF (counterCPUTime >= triggerCPUTime .OR. & - t == tFinal .OR. t == tInitial) THEN + timeStep == tFinal .OR. timeStep == tInitial) THEN !Reset CPU Time counter counterCPUTime = 0 - CALL printTime(t, t == 0) + CALL printTime(timeStep == 0) END IF !Output average values - IF (useAverage .AND. t == tFinal) THEN + IF (useAverage .AND. timeStep == tFinal) THEN CALL mesh%printAverage() END IF END SUBROUTINE doOutput - SUBROUTINE doAverage(t) + SUBROUTINE doAverage() USE moduleAverage USE moduleMesh IMPLICIT NONE - INTEGER, INTENT(in):: t INTEGER:: tAverage, n - IF (useAverage) THEN - tAverage = t - tAverageStart + tAverage = timeStep - tAverageStart IF (tAverage == 1) THEN !First iteration in which average scheme is used From 10dee05922e17d72258fbd432ed1c689f08571ba Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 12 Jul 2024 23:30:35 +0200 Subject: [PATCH 168/203] NOT WORKING: Compilation okay, but not Dirichlet BC The code compiles but the right BC is not being applied to the vectorF. I'll check this tomorrow. --- src/modules/init/moduleInput.f90 | 12 +- .../solver/electromagnetic/moduleEM.f90 | 126 ++++++++++++------ 2 files changed, 92 insertions(+), 46 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 6800ac1..eea1937 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1148,8 +1148,8 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: typeEM REAL(8):: potential INTEGER:: physicalSurface - CHARACTER(:), ALLOCATABLE:: timeProfile - INTEGER:: b, e, s, n, ni + CHARACTER(:), ALLOCATABLE:: temporalProfile + INTEGER:: b, s, n, ni CHARACTER(2):: bString INTEGER:: info EXTERNAL:: dgetrf @@ -1187,12 +1187,20 @@ MODULE moduleInput END IF + CALL config%get(object // '.temporalProfile', temporalProfile, found) + IF (.NOT. found) THEN + CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') + + END IF + CALL config%get(object // '.physicalSurface', physicalSurface, found) IF (.NOT. found) THEN CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') END IF + CALL initDirichletTime(boundaryEM(b)%obj, physicalSurface, potential, temporalProfile) + CASE DEFAULT CALL criticalError('Boundary type ' // typeEM // ' not yet supported', 'readEMBoundary') diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index 30a23ad..b480330 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -66,20 +66,65 @@ MODULE moduleEM REAL(8), ALLOCATABLE:: qSpecies(:) CONTAINS - ! Initialize Dirichlet boundary condition - SUBROUTINE initDirichlet(self, physicalSurface, potential) + SUBROUTINE findNodes(self, physicalSurface) USE moduleMesh - USE moduleRefParam, ONLY: Volt_ref IMPLICIT NONE - CLASS(boundaryEMGeneric), ALLOCATABLE, INTENT(out):: self - INTEGER:: physicalSurface - REAL(8), INTENT(in):: potential + CLASS(boundaryEMGeneric), INTENT(inout):: self + INTEGER, INTENT(in):: physicalSurface CLASS(meshEdge), POINTER:: edge INTEGER, ALLOCATABLE:: nodes(:), nodesEdge(:) INTEGER:: nNodes, nodesNew INTEGER:: e, n + !Temporal array to hold nodes + ALLOCATE(nodes(0)) + + ! Loop thorugh the edges and identify those that are part of the boundary + DO e = 1, mesh%numEdges + edge => mesh%edges(e)%obj + IF (edge%physicalSurface == physicalSurface) THEN + ! Edge is of the right boundary index + ! Get nodes in the edge + nNodes = edge%nNodes + nodesEdge = edge%getNodes(nNodes) + ! Collect all nodes that are not already in the temporal array + DO n = 1, nNodes + IF (ANY(nodes == nodesEdge(n))) THEN + ! Node already in array, skip + CYCLE + + ELSE + ! If not, add element to array of nodes + nodes = [nodes, nodesEdge(n)] + + END IF + + END DO + + END IF + + END DO + + ! Point boundary to nodes + nNodes = SIZE(nodes) + ALLOCATE(self%nodes(nNodes)) + DO n = 1, nNodes + self%nodes(n)%obj => mesh%nodes(nodes(n))%obj + + END DO + + END SUBROUTINE findNodes + + ! Initialize Dirichlet boundary condition + SUBROUTINE initDirichlet(self, physicalSurface, potential) + USE moduleRefParam, ONLY: Volt_ref + IMPLICIT NONE + + CLASS(boundaryEMGeneric), ALLOCATABLE, INTENT(out):: self + INTEGER, INTENT(in):: physicalSurface + REAL(8), INTENT(in):: potential + ! Allocate boundary edge ALLOCATE(boundaryEMDirichlet:: self) @@ -87,48 +132,39 @@ MODULE moduleEM TYPE IS(boundaryEMDirichlet) self%potential = potential / Volt_ref - !TODO: This is going into a function - !Temporal array to hold nodes - ALLOCATE(nodes(0)) - - ! Loop thorugh the edges and identify those that are part of the boundary - DO e = 1, mesh%numEdges - edge => mesh%edges(e)%obj - IF (edge%physicalSurface == physicalSurface) THEN - ! Edge is of the right boundary index - ! Get nodes in the edge - nNodes = edge%nNodes - nodesEdge = edge%getNodes(nNodes) - ! Collect all nodes that are not already in the temporal array - DO n = 1, nNodes - IF (ANY(nodes == nodesEdge(n))) THEN - ! Node already in array, skip - CYCLE - - ELSE - ! If not, add element to array of nodes - nodes = [nodes, nodesEdge(n)] - - END IF - - END DO - - END IF - - END DO - - ! Point boundary to nodes - nNodes = SIZE(nodes) - ALLOCATE(self%nodes(nNodes)) - DO n = 1, nNodes - self%nodes(n)%obj => mesh%nodes(nodes(n))%obj - - END DO + CALL findNodes(self, physicalSurface) END SELECT END SUBROUTINE initDirichlet + ! Initialize Dirichlet boundary condition + SUBROUTINE initDirichletTime(self, physicalSurface, potential, temporalProfile) + USE moduleRefParam, ONLY: Volt_ref, ti_ref + IMPLICIT NONE + + CLASS(boundaryEMGeneric), ALLOCATABLE, INTENT(out):: self + INTEGER, INTENT(in):: physicalSurface + REAL(8), INTENT(in):: potential + CHARACTER(:), ALLOCATABLE, INTENT(in):: temporalProfile + + ! Allocate boundary edge + ALLOCATE(boundaryEMDirichletTime:: self) + + SELECT TYPE(self) + TYPE IS(boundaryEMDirichletTime) + self%potential = potential / Volt_ref + + CALL findNodes(self, physicalSurface) + + CALL self%temporalProfile%init(temporalProfile) + + CALL self%temporalProfile%convert(1.D0/ti_ref, 1.D0) + + END SELECT + + END SUBROUTINE initDirichletTime + !Apply Dirichlet boundary condition to the poisson equation SUBROUTINE applyDirichlet(self, vectorF) USE moduleMesh @@ -140,6 +176,7 @@ MODULE moduleEM DO n = 1, self%nNodes self%nodes(n)%obj%emData%phi = self%potential + vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi END DO @@ -156,7 +193,8 @@ MODULE moduleEM INTEGER:: n, ni DO n = 1, self%nNodes - self%nodes(n)%obj%emData%phi = self%potential + self%nodes(n)%obj%emData%phi = self%potential !TODO: Correct for time + vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi END DO From 2d4b405fb10f203b72a456871ac7bba26c328c1c Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 13 Jul 2024 12:06:41 +0200 Subject: [PATCH 169/203] Functionality added Now we have a new boundary condition that can change the value of the potential in a surface based on a file. --- src/modules/init/moduleInput.f90 | 25 ++++++++++++------- .../solver/electromagnetic/moduleEM.f90 | 7 ++++-- 2 files changed, 21 insertions(+), 11 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index eea1937..b5f6881 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1137,7 +1137,6 @@ MODULE moduleInput USE moduleOutput USE moduleErrors USE moduleEM - USE moduleRefParam USE moduleSpecies USE json_module IMPLICIT NONE @@ -1148,7 +1147,7 @@ MODULE moduleInput CHARACTER(:), ALLOCATABLE:: typeEM REAL(8):: potential INTEGER:: physicalSurface - CHARACTER(:), ALLOCATABLE:: temporalProfile + CHARACTER(:), ALLOCATABLE:: temporalProfile, temporalProfilePath INTEGER:: b, s, n, ni CHARACTER(2):: bString INTEGER:: info @@ -1156,11 +1155,14 @@ MODULE moduleInput CALL config%info('boundaryEM', found, n_children = nBoundaryEM) - IF (found) ALLOCATE(boundaryEM(1:nBoundaryEM)) + IF (found) THEN + ALLOCATE(boundaryEM(1:nBoundaryEM)) + + END IF DO b = 1, nBoundaryEM WRITE(bString, '(I2)') b - object = 'boundaryEM(' // trim(bString) // ')' + object = 'boundaryEM(' // TRIM(bString) // ')' CALL config%get(object // '.type', typeEM, found) @@ -1174,7 +1176,8 @@ MODULE moduleInput CALL config%get(object // '.physicalSurface', physicalSurface, found) IF (.NOT. found) THEN - CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') + CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', & + 'readEMBoundary') END IF @@ -1183,23 +1186,27 @@ MODULE moduleInput CASE ("dirichletTime") CALL config%get(object // '.potential', potential, found) IF (.NOT. found) THEN - CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') + CALL criticalError('Required parameter "potential" for Dirichlet Time boundary condition not found', & + 'readEMBoundary') END IF CALL config%get(object // '.temporalProfile', temporalProfile, found) IF (.NOT. found) THEN - CALL criticalError('Required parameter "potential" for Dirichlet boundary condition not found', 'readEMBoundary') + CALL criticalError('Required parameter "temporalProfile" for Dirichlet Time boundary condition not found', & + 'readEMBoundary') END IF + temporalProfilePath = path // temporalProfile CALL config%get(object // '.physicalSurface', physicalSurface, found) IF (.NOT. found) THEN - CALL criticalError('Required parameter "physicalSurface" for Dirichlet boundary condition not found', 'readEMBoundary') + CALL criticalError('Required parameter "physicalSurface" for Dirichlet Time boundary condition not found', & + 'readEMBoundary') END IF - CALL initDirichletTime(boundaryEM(b)%obj, physicalSurface, potential, temporalProfile) + CALL initDirichletTime(boundaryEM(b)%obj, physicalSurface, potential, temporalProfilePath) CASE DEFAULT CALL criticalError('Boundary type ' // typeEM // ' not yet supported', 'readEMBoundary') diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index b480330..703b31c 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -109,6 +109,7 @@ MODULE moduleEM ! Point boundary to nodes nNodes = SIZE(nodes) ALLOCATE(self%nodes(nNodes)) + self%nNodes = nNodes DO n = 1, nNodes self%nodes(n)%obj => mesh%nodes(nodes(n))%obj @@ -190,10 +191,13 @@ MODULE moduleEM CLASS(boundaryEMDirichletTime), INTENT(in):: self REAL(8), INTENT(inout):: vectorF(:) + REAL(8):: timeFactor INTEGER:: n, ni + timeFactor = self%temporalProfile%get(DBLE(timeStep)*tauMin) + DO n = 1, self%nNodes - self%nodes(n)%obj%emData%phi = self%potential !TODO: Correct for time + self%nodes(n)%obj%emData%phi = self%potential * timeFactor vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi END DO @@ -274,7 +278,6 @@ MODULE moduleEM ALLOCATE(tempF(1:mesh%numNodes)) !$OMP END SINGLE - !TODO: Is this done every time step??? Then things are gonna be really simple. 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Accepted values are: \begin{itemize} - \item \textbf{dirichlet}: Elastic reflection of particles. + \item \textbf{dirichlet}: Constant value of electric potential on the surface. + \item \textbf{dirichletTime}: Constant value of the electric potential with a time variable profile. + The value of \textbf{boundaryEM.potential} will be multiplied for the corresponding value in the file \textbf{boundaryEM.temporalProfile}. \end{itemize} - \item \textbf{potential}: Real. - Fixed potential for Dirichlet boundary condition. + \item \textbf{potential}: Real. + Fixed potential for Dirichlet boundary condition. \item \textbf{physicalSurface}: Integer. Identification of the edge in the mesh file. + \item \textbf{temporalProfile}: Character. + Filename of the 2 column file containing the time variable profile. + File must be located in \textbf{output.path}. + The first column is the time in $\unit{s}$. + The second column is the factor that will multiply the value of the boundary. + \end{itemize} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% @@ -611,7 +619,7 @@ make \begin{itemize} \item \textbf{A}: Ampere. \item \textbf{Am2}: Ampere per square meter. - This value will be multiplied by the surface of injection. + This value will be multiplied by the area of injection. \item \textbf{sccm}: Standard cubic centimetre. \item \textbf{part/s}: Particles (real) per second. \end{itemize} @@ -717,7 +725,7 @@ make Output file from previous run used as an initial state for the species. The file format must be the same as in \textbf{geometry.meshType} Initial particles are assumed to have a Maxwellian distribution. - File must be located at \textbf{output.path}. + File must be located in \textbf{output.path}. \item \textbf{particlesPerCell}: Integer. Optional. Initial number of particles per cell. From 6f185c418846a518a1afb338e71ab3204b869188 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 13 Jul 2024 12:35:42 +0200 Subject: [PATCH 171/203] Organizing things Move the array of pointers to the nodes to moduleMesh. --- src/modules/mesh/moduleMesh.f90 | 7 +++++++ src/modules/solver/electromagnetic/moduleEM.f90 | 8 -------- 2 files changed, 7 insertions(+), 8 deletions(-) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index f933dd1..7ab3914 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -59,6 +59,13 @@ MODULE moduleMesh END TYPE meshNodeCont + ! Array of pointers to nodes. + TYPE:: meshNodePointer + CLASS(meshNode), POINTER:: obj + CONTAINS + + END TYPE meshNodePointer + !Type for array of boundary functions (one per species) TYPE, PUBLIC:: fBoundaryGeneric PROCEDURE(boundary_interface), POINTER, NOPASS:: apply => NULL() diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index 703b31c..126f9a6 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -4,14 +4,6 @@ MODULE moduleEM USE moduleTable IMPLICIT NONE - ! Array of pointers to nodes. - !TODO: This is probably better in moduleMesh as multiple modules could use this. - TYPE:: meshNodePointer - CLASS(meshNode), POINTER:: obj - CONTAINS - - END TYPE meshNodePointer - ! Generic type for electromagnetic boundary conditions TYPE, PUBLIC, ABSTRACT:: boundaryEMGeneric INTEGER:: nNodes From 98ee3e9c9c38ec6d461c50268a44a99912c8eb70 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Mon, 30 Sep 2024 17:06:25 +0200 Subject: [PATCH 172/203] Still not working, but will be fixed I have the solution in the plasma expansion code, but I need to do other stuff. --- src/modules/moduleInject.f90 | 3 +- .../solver/electromagnetic/moduleEM.f90 | 50 +++++++++---------- 2 files changed, 26 insertions(+), 27 deletions(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 4e57083..496ea6a 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -108,7 +108,8 @@ MODULE moduleInject CASE ("A") !Input current in Ampers - self%nParticles = INT(flow*tauInject*ti_ref/(qe*species(sp)%obj%weight)) + ! TODO: Make this only available for charge species + self%nParticles = INT(flow*tauInject*ti_ref/(qe*abs(species(sp)%obj%qm*species(sp)%obj%m)*species(sp)%obj%weight)) CASE ("part/s") !Input current in Ampers diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index 0f02bed..a8a5323 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -46,7 +46,7 @@ MODULE moduleEM END DO - END SUBROUTINE + END SUBROUTINE apply !Assemble the source vector based on the charge density to solve Poisson's equation SUBROUTINE assembleSourceVector(vectorF, n_e) @@ -169,25 +169,16 @@ MODULE moduleEM INTEGER, INTENT(in):: n REAL(8), INTENT(in):: phi(1:n) REAL(8):: n_e(1:n) - REAL(8):: n_e0 = 1.0D16, phi_0 = -520.0D0, T_e = 11604.0 + REAL(8):: n_e0 = 1.0D16, phi_0 = -500.0D0, T_e = 11604.0 INTEGER:: i - DO i =1, n - IF (phi(i)*Volt_ref >= phi_0) THEN - n_e(i) = n_e0 / n_ref * EXP(-qe * (phi(i)*Volt_ref - phi_0) / (kb * T_e)) - - ELSE - n_e(i) = 0.D0 - - END IF - - END DO + n_e = n_e0 / n_ref * exp(qe * (phi*Volt_ref - phi_0) / (kb * T_e)) RETURN END FUNCTION BoltzmannElectron - SUBROUTINE solveElecFieldBoltzmann + SUBROUTINE solveElecFieldBoltzmann() USE moduleMesh USE moduleErrors IMPLICIT NONE @@ -195,7 +186,7 @@ MODULE moduleEM INTEGER, SAVE:: INFO INTEGER:: n REAL(8), ALLOCATABLE, SAVE:: tempF(:) - REAL(8), ALLOCATABLE, SAVE:: n_e(:), phi_old(:) + REAL(8), ALLOCATABLE, SAVE:: n_e(:), phi_old(:), phi(:) INTEGER:: k EXTERNAL:: dgetrs @@ -203,22 +194,29 @@ MODULE moduleEM ALLOCATE(tempF(1:mesh%numNodes)) ALLOCATE(n_e(1:mesh%numNodes)) ALLOCATE(phi_old(1:mesh%numNodes)) - n_e = 0.D0 - CALL assembleSourceVector(tempF, n_e) - + ALLOCATE(phi(1:mesh%numNodes)) !$OMP END SINGLE + !$OMP DO + DO n = 1, mesh%numNodes + phi_old(n) = mesh%nodes(n)%obj%emData%phi + + END DO + !$OMP END DO + !$OMP SINGLE - DO k = 1, 10 - phi_old = tempF + DO k = 1, 100 + n_e = BoltzmannElectron(phi_old, mesh%numNodes) + CALL assembleSourceVector(tempF, n_e) + CALL dgetrs('N', mesh%numNodes, 1, mesh%K, mesh%numNodes, & mesh%IPIV, tempF, mesh%numNodes, info) + phi = tempF - PRINT *, MAXVAL(n_e), MINVAL(n_e) - PRINT *, MAXVAL(tempF), MINVAL(tempF) - PRINT*, k, "diff = ", MAXVAL(ABS(tempF - phi_old)) - n_e = BoltzmannElectron(tempF, mesh%numNodes) - CALL assembleSourceVector(tempF, n_e) + PRINT *, MAXVAL(n_e), MINVAL(n_e) + PRINT *, MAXVAL(phi), MINVAL(phi) + PRINT*, k, "diff = ", MAXVAL(ABS(phi - phi_old)) + phi_old = phi END DO !$OMP END SINGLE @@ -227,7 +225,7 @@ MODULE moduleEM !Suscessful resolution of Poission equation !$OMP DO DO n = 1, mesh%numNodes - mesh%nodes(n)%obj%emData%phi = tempF(n) + mesh%nodes(n)%obj%emData%phi = phi_old(n) END DO !$OMP END DO @@ -240,7 +238,7 @@ MODULE moduleEM END IF !$OMP SINGLE - DEALLOCATE(tempF, n_e, phi_old) + DEALLOCATE(tempF, n_e, phi_old, phi) !$OMP END SINGLE END SUBROUTINE solveElecFieldBoltzmann From 2af10acd70850359cf6bfa3fcf1828885271cced Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Sun, 13 Oct 2024 13:32:57 +0200 Subject: [PATCH 173/203] Issue with injecting current Values were not right in 1D geometry. Fixed. --- src/modules/mesh/1DCart/moduleMesh1DCart.f90 | 2 +- src/modules/mesh/1DRad/moduleMesh1DRad.f90 | 2 +- src/modules/moduleInject.f90 | 19 +++++++++++++++++-- 3 files changed, 19 insertions(+), 4 deletions(-) diff --git a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 index f400ab0..bbc72e2 100644 --- a/src/modules/mesh/1DCart/moduleMesh1DCart.f90 +++ b/src/modules/mesh/1DCart/moduleMesh1DCart.f90 @@ -123,7 +123,7 @@ MODULE moduleMesh1DCart self%x = r1(1) - self%surface = 1.D0 / L_ref**2 + self%surface = 1.D0 self%normal = (/ 1.D0, 0.D0, 0.D0 /) diff --git a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 index fd617bd..e260900 100644 --- a/src/modules/mesh/1DRad/moduleMesh1DRad.f90 +++ b/src/modules/mesh/1DRad/moduleMesh1DRad.f90 @@ -123,7 +123,7 @@ MODULE moduleMesh1DRad self%r = r1(1) - self%surface = 1.D0 / L_ref**2 + self%surface = 1.D0 self%normal = (/ 1.D0, 0.D0, 0.D0 /) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 18c7fbb..4f4d23c 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -159,11 +159,26 @@ MODULE moduleInject CASE ("A") !Current in Ampers - fluxPerStep = flow/qe + SELECT TYPE(sp => self%species) + CLASS IS(speciesCharged) + fluxPerStep = flow/(qe*abs(sp%q)) + + CLASS DEFAULT + call criticalError('Attempted to assign a flux in "A" to a species without charge.', 'initInject') + + END SELECT CASE ("Am2") !Input current in Ampers per square meter - fluxPerStep = flow*self%surface*L_ref**2/qe + SELECT TYPE(sp => self%species) + CLASS IS(speciesCharged) + fluxPerStep = flow*self%surface*L_ref**2/(qe*abs(sp%q)) + + CLASS DEFAULT + call criticalError('Attempted to assign a flux in "Am2" to a species without charge.', 'initInject') + + END SELECT + CASE ("part/s") !Input current in Ampers From d28dd16c2e14c42c0ce712b05f33ecbf6a1afd01 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 17 Jul 2025 18:34:11 +0200 Subject: [PATCH 174/203] Average fix and data for Xe --- data/collisions/IO_e-Xe.dat | 52 ++++++++++++++++++++++++++++++++ src/modules/init/moduleInput.f90 | 6 +++- 2 files changed, 57 insertions(+), 1 deletion(-) create mode 100644 data/collisions/IO_e-Xe.dat diff --git a/data/collisions/IO_e-Xe.dat b/data/collisions/IO_e-Xe.dat new file mode 100644 index 0000000..3067578 --- /dev/null +++ b/data/collisions/IO_e-Xe.dat @@ -0,0 +1,52 @@ +# EL cross sections extracted from PROGRAM MAGBOLTZ, VERSION 7.1 JUNE 2004 www.lxcat.net/Biagi-v7.1 +# Relative energy (eV) cross section (m^2) +1.21E+01 0 +1.41E+01 3.923E-21 +1.64E+01 1.194E-20 +1.91E+01 2.1E-20 +2.22E+01 2.946E-20 +2.58E+01 3.65E-20 +3.00E+01 4.185E-20 +3.49E+01 4.552E-20 +4.06E+01 4.766E-20 +4.72E+01 4.85E-20 +5.49E+01 4.828E-20 +6.39E+01 5.031E-20 +7.43E+01 5.1E-20 +8.64E+01 5.1E-20 +1.01E+02 5.032E-20 +1.17E+02 4.906E-20 +1.36E+02 4.732E-20 +1.58E+02 4.521E-20 +1.84E+02 4.283E-20 +2.14E+02 4.029E-20 +2.49E+02 3.764E-20 +2.90E+02 3.497E-20 +3.37E+02 3.233E-20 +3.92E+02 2.975E-20 +4.56E+02 2.726E-20 +5.31E+02 2.489E-20 +6.17E+02 2.266E-20 +7.18E+02 2.056E-20 +8.35E+02 1.861E-20 +9.72E+02 1.68E-20 +1.13E+03 1.514E-20 +1.32E+03 1.361E-20 +1.53E+03 1.221E-20 +1.78E+03 1.094E-20 +2.07E+03 9.781E-21 +2.41E+03 8.735E-21 +2.80E+03 7.789E-21 +3.26E+03 6.938E-21 +3.79E+03 6.171E-21 +4.41E+03 5.484E-21 +5.13E+03 4.868E-21 +5.97E+03 4.316E-21 +6.94E+03 3.824E-21 +8.07E+03 3.385E-21 +9.39E+03 2.994E-21 +1.09E+04 2.646E-21 +1.27E+04 2.336E-21 +1.48E+04 2.062E-21 +1.72E+04 1.818E-21 +2.00E+04 1.602E-21 diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 5090942..18c6e65 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -1331,6 +1331,7 @@ MODULE moduleInput USE moduleCaseParam, ONLY: tauMin USE moduleMesh, ONLY: mesh USE moduleSpecies, ONLY: nSpecies + USE moduleRefParam, ONLY: ti_ref IMPLICIT NONE TYPE(json_file), INTENT(inout):: config @@ -1344,8 +1345,11 @@ MODULE moduleInput CALL config%get('average.startTime', tStart, found) IF (found) THEN - tAverageStart = INT(tStart / tauMin) + tAverageStart = INT(tStart / ti_ref / tauMin) + ELSE + tAverageStart = 0 + END IF ALLOCATE(averageScheme(1:mesh%numNodes)) From a2f9957f32219725485e77a03a7475854d96a213 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 18 Jul 2025 16:31:52 +0200 Subject: [PATCH 175/203] I am dumb The Poisson equation was not working because I didn't finish implementing the new type of BCs. Dirichlet is probably untested. I should stop doing shitty developments and no testing. --- src/modules/output/moduleOutput.f90 | 1 - .../solver/electromagnetic/moduleEM.f90 | 33 ++++++++----------- 2 files changed, 13 insertions(+), 21 deletions(-) diff --git a/src/modules/output/moduleOutput.f90 b/src/modules/output/moduleOutput.f90 index e6dc91f..2af3c70 100644 --- a/src/modules/output/moduleOutput.f90 +++ b/src/modules/output/moduleOutput.f90 @@ -22,7 +22,6 @@ MODULE moduleOutput !Type for EM data in node TYPE emNode - CHARACTER(:), ALLOCATABLE:: type REAL(8):: phi REAL(8):: B(1:3) diff --git a/src/modules/solver/electromagnetic/moduleEM.f90 b/src/modules/solver/electromagnetic/moduleEM.f90 index 740fd14..7f6891c 100644 --- a/src/modules/solver/electromagnetic/moduleEM.f90 +++ b/src/modules/solver/electromagnetic/moduleEM.f90 @@ -11,7 +11,6 @@ MODULE moduleEM CONTAINS PROCEDURE(applyEM_interface), DEFERRED, PASS:: apply - !PROCEDURE, PASS:: update !only for time dependent boundary conditions or maybe change apply????? That might be better. END TYPE boundaryEMGeneric @@ -168,8 +167,8 @@ MODULE moduleEM INTEGER:: n, ni DO n = 1, self%nNodes - self%nodes(n)%obj%emData%phi = self%potential - vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi + self%nodes(n)%obj%emData%phi = self%potential + vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi END DO @@ -189,8 +188,8 @@ MODULE moduleEM timeFactor = self%temporalProfile%get(DBLE(timeStep)*tauMin) DO n = 1, self%nNodes - self%nodes(n)%obj%emData%phi = self%potential * timeFactor - vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi + self%nodes(n)%obj%emData%phi = self%potential * timeFactor + vectorF(self%nodes(n)%obj%n) = self%nodes(n)%obj%emData%phi END DO @@ -211,11 +210,11 @@ MODULE moduleEM INTEGER:: e, i, ni, b CLASS(meshNode), POINTER:: node - ! !$OMP SINGLE + !$OMP SINGLE vectorF = 0.D0 - ! !$OMP END SINGLE + !$OMP END SINGLE - ! !$OMP DO REDUCTION(+:vectorF) + !$OMP DO REDUCTION(+:vectorF) DO e = 1, mesh%numCells nNodes = mesh%cells(e)%obj%nNodes nodes = mesh%cells(e)%obj%getNodes(nNodes) @@ -247,21 +246,15 @@ MODULE moduleEM DEALLOCATE(nodes, rho) END DO - ! !$OMP END DO + !$OMP END DO !Apply boundary conditions - ! !$OMP DO - DO i = 1, mesh%numNodes - node => mesh%nodes(i)%obj + !$OMP SINGLE + do b = 1, nBoundaryEM + call boundaryEM(b)%obj%apply(vectorF) - SELECT CASE(node%emData%type) - CASE ("dirichlet") - vectorF(i) = node%emData%phi - - END SELECT - - END DO - ! !$OMP END DO + end do + !$OMP END SINGLE END SUBROUTINE assembleSourceVector From 69215ef66d52557f84232c8ffedd906d0cb2bc90 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez - Galactica Date: Tue, 22 Jul 2025 19:52:39 +0200 Subject: [PATCH 176/203] Change in calculating ionization I don't know why I normalizing density n_0 by Vol_ref and not n_ref --- src/modules/moduleBoundary.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index 0b76105..b5bda2f 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -126,7 +126,7 @@ MODULE moduleBoundary SELECT TYPE(boundary) TYPE IS(boundaryIonization) boundary%m0 = m0 / m_ref - boundary%n0 = n0 * Vol_ref + boundary%n0 = n0 / n_ref boundary%v0 = v0 / v_ref boundary%vTh = DSQRT(kb*T0/m0)/v_ref boundary%species => species(ion)%obj From 7f73b69dc2f42933344d75e887a63a76697e9c89 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 27 Jul 2025 17:14:38 +0200 Subject: [PATCH 177/203] Fix injection Half-Maxwellian distribution should inject particles correctly --- src/modules/common/moduleRandom.f90 | 17 +++++++++++++++++ src/modules/moduleInject.f90 | 5 +---- 2 files changed, 18 insertions(+), 4 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index ae5c548..7d9cec6 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -66,6 +66,23 @@ MODULE moduleRandom END FUNCTION randomMaxwellian + !Returns a random number in a Maxwellian distribution of mean 0 and width 1 + FUNCTION randomHalfMaxwellian() RESULT(rnd) + IMPLICIT NONE + + REAL(8):: rnd + REAL(8):: x + + rnd = 0.D0 + x = 0.D0 + DO WHILE (x == 0.D0) + CALL RANDOM_NUMBER(x) + END DO + + rnd = DSQRT(-DLOG(x)) + + END FUNCTION randomHalfMaxwellian + !Returns a random number weighted with the cumWeight array FUNCTION randomWeighted(cumWeight, sumWeight) RESULT(rnd) IMPLICIT NONE diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index b4e0ed2..b6fc64b 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -298,10 +298,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - DO WHILE (v <= 0.D0) - v = self%vTh*randomMaxwellian() - - END DO + v = self%vTh*randomHalfMaxwellian() END FUNCTION randomVelHalfMaxwellian From 8e531ede08bea0d68863279b17d459fa155b1aaa Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 27 Jul 2025 17:16:57 +0200 Subject: [PATCH 178/203] Vol_ref was the right answer --- src/modules/moduleBoundary.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/modules/moduleBoundary.f90 b/src/modules/moduleBoundary.f90 index b5bda2f..0b76105 100644 --- a/src/modules/moduleBoundary.f90 +++ b/src/modules/moduleBoundary.f90 @@ -126,7 +126,7 @@ MODULE moduleBoundary SELECT TYPE(boundary) TYPE IS(boundaryIonization) boundary%m0 = m0 / m_ref - boundary%n0 = n0 / n_ref + boundary%n0 = n0 * Vol_ref boundary%v0 = v0 / v_ref boundary%vTh = DSQRT(kb*T0/m0)/v_ref boundary%species => species(ion)%obj From d1e73297eb9f51a6586c78e07bb53dc39ed8c4ea Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 27 Jul 2025 18:17:01 +0200 Subject: [PATCH 179/203] Adjust flux when no particlesPerEdge is used This does not affects the cases of the IEPC, but I am also doing other stuff. --- src/modules/moduleInject.f90 | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index b6fc64b..000823e 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -199,17 +199,21 @@ MODULE moduleInject END DO + self%nParticles = SUM(self%particlesPerEdge) + ELSE ! No particles assigned per edge, use the species weight self%weightPerEdge = self%species%weight DO et = 1, self%nEdges - self%particlesPerEdge(et) = FLOOR(fluxPerStep*mesh%edges(self%edges(et))%obj%surface /self%species%weight) - + self%particlesPerEdge(et) = max(1,FLOOR(fluxPerStep*mesh%edges(self%edges(et))%obj%surface / self%species%weight)) END DO - END IF + self%nParticles = SUM(self%particlesPerEdge) - self%nParticles = SUM(self%particlesPerEdge) + !Rescale weight to match flux + self%weightPerEdge = fluxPerStep * self%surface / (real(self%nParticles)) + + END IF !Scale particles for different species steps IF (self%nParticles == 0) CALL criticalError("The number of particles for inject is 0.", 'initInject') From 78cb9a245335ce68720c5f3e13cf97c7ccc0139c Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez - Galactica Date: Sat, 2 Aug 2025 10:31:06 +0200 Subject: [PATCH 180/203] No reflection of particles at injection, that should be a boundary condition --- src/modules/moduleInject.f90 | 6 ------ 1 file changed, 6 deletions(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 000823e..4fb855a 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -385,12 +385,6 @@ MODULE moduleInject self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) - !If velocity is not in the right direction, invert it - IF (DOT_PRODUCT(direction, partInj(n)%v) < 0.D0) THEN - partInj(n)%v = - partInj(n)%v - - END IF - !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step From 4b040c35c39064c0832dbc6631dc99b2385ed263 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 2 Aug 2025 13:25:48 +0200 Subject: [PATCH 181/203] Fixes to random variables After reading some works and reviewing what I had, I've done some corrections to how the randomb velicities in Maxwellian distributions are calculated. These should be correct now. --- src/modules/common/moduleRandom.f90 | 19 ++++++++++--------- src/modules/moduleInject.f90 | 4 ++-- 2 files changed, 12 insertions(+), 11 deletions(-) diff --git a/src/modules/common/moduleRandom.f90 b/src/modules/common/moduleRandom.f90 index 7d9cec6..156f5e4 100644 --- a/src/modules/common/moduleRandom.f90 +++ b/src/modules/common/moduleRandom.f90 @@ -47,22 +47,23 @@ MODULE moduleRandom END FUNCTION randomIntAB - !Returns a random number in a Maxwellian distribution of mean 0 and width 1 + !Returns a random number in a Maxwellian distribution of mean 0 and width 1 with the Box-Muller Method FUNCTION randomMaxwellian() RESULT(rnd) USE moduleConstParam, ONLY: PI IMPLICIT NONE REAL(8):: rnd - REAL(8):: x, y + REAL(8):: v1, v2, Rsquare - rnd = 0.D0 - x = 0.D0 - DO WHILE (x == 0.D0) - CALL RANDOM_NUMBER(x) - END DO - CALL RANDOM_NUMBER(y) + Rsquare = 1.D0 + do while (Rsquare >= 1.D0 .and. Rsquare > 0.D0) + v1 = 2.D0 * random() - 1.D0 + v2 = 2.D0 * random() - 1.D0 + Rsquare = v1**2 + v2**2 - rnd = DSQRT(-2.D0*DLOG(x))*DCOS(2.D0*PI*y) + end do + + rnd = v2 * sqrt(-2.D0 * log(Rsquare) / Rsquare) END FUNCTION randomMaxwellian diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 4fb855a..5e72835 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -289,7 +289,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - v = self%vTh*randomMaxwellian() + v = sqrt(2.0)*self%vTh*randomMaxwellian() END FUNCTION randomVelMaxwellian @@ -302,7 +302,7 @@ MODULE moduleInject REAL(8):: v v = 0.D0 - v = self%vTh*randomHalfMaxwellian() + v = sqrt(2.0)*self%vTh*randomHalfMaxwellian() END FUNCTION randomVelHalfMaxwellian From d86c8480f3cc772bd7bac19c4eb3e921a86fe32d Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez - Galactica Date: Sat, 2 Aug 2025 16:51:00 +0200 Subject: [PATCH 182/203] Fixed issue with some velocities. Still, at some point I need to rething all the injection thing. --- src/modules/moduleInject.f90 | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 5e72835..2a2c393 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -385,6 +385,13 @@ MODULE moduleInject self%v(2)%obj%randomVel(), & self%v(3)%obj%randomVel() /) + !If injecting a no-drift distribution and velocity is negative, reflect + if ((self%vMod == 0.D0) .and. & + (dot_product(direction, partInj(n)%v) < 0.D0)) then + partInj(n)%v = - partInj(n)%v + + end if + !Obtain natural coordinates of particle in cell partInj(n)%Xi = mesh%cells(partInj(n)%cell)%obj%phy2log(partInj(n)%r) !Push new particle with the minimum time step From 7e193b9fa8133a105326c4e96c5f1b32779ebcb8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 3 Aug 2025 15:32:55 +0200 Subject: [PATCH 183/203] Minor changes, no improvement made yet --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 2 ++ src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 4 ++-- src/modules/solver/moduleSolver.f90 | 1 + 3 files changed, 5 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index dbc8b25..c7308bf 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -701,6 +701,8 @@ MODULE moduleMesh2DCart pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%y(1:3)), & DOT_PRODUCT(dPsi(2,1:3),self%y(1:3)) /) + pDer(3,3) = 1.D0 + END FUNCTION partialDerTria !Gather electric field at position Xi diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index ae1eb92..bb94440 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -705,8 +705,8 @@ MODULE moduleMesh2DCyl dPsi = 0.D0 - dPsi(1,:) = (/ -1.D0, 1.D0, 0.D0 /) - dPsi(2,:) = (/ -1.D0, 0.D0, 1.D0 /) + dPsi(1,1:3) = (/ -1.D0, 1.D0, 0.D0 /) + dPsi(2,1:3) = (/ -1.D0, 0.D0, 1.D0 /) END FUNCTION dPsiTria diff --git a/src/modules/solver/moduleSolver.f90 b/src/modules/solver/moduleSolver.f90 index f85d812..df8d5e8 100644 --- a/src/modules/solver/moduleSolver.f90 +++ b/src/modules/solver/moduleSolver.f90 @@ -140,6 +140,7 @@ MODULE moduleSolver CASE('ElectrostaticBoltzmann') self%solveEM => solveElecFieldBoltzmann + END SELECT END SUBROUTINE initEM From 102fd013f3d30f39b425806bd1968d9d233de7b7 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 3 Aug 2025 20:46:12 +0200 Subject: [PATCH 184/203] Issue with triangles fixed Now they give the right electric field. I have to change 2DCyl. However, there was some insonsistency between the change of coordinates in phy2log and the Jacobian for the K matrix. I fixed it putting a transpose() in phy2log, but I don't like that solution. I need to review the basic procedure of phy2log. --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index c7308bf..eb834e5 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -520,7 +520,7 @@ MODULE moduleMesh2DCart fPsi = self%fPsi(XiO, 4) f(1:2) = (/ DOT_PRODUCT(fPsi,self%x), & DOT_PRODUCT(fPsi,self%y) /) - r(1:2) - Xi = XiO - MATMUL(invJ, f)/detJ + Xi = XiO - MATMUL(transpose(invJ), f)/detJ conv = MAXVAL(DABS(Xi-XiO),1) XiO = Xi @@ -831,14 +831,14 @@ MODULE moduleMesh2DCart REAL(8):: deltaR(1:3) REAL(8):: dPsi(1:3, 1:3) REAL(8):: pDer(1:3, 1:3) - REAL(8):: invJ(1:3, 1:3), detJ + REAL(8):: invJ(1:3, 1:3), detJ !Direct method to convert coordinates Xi = 0.D0 deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) dPsi = self%dPsi(Xi, 3) pDer = self%partialDer(3, dPsi) - invJ = self%invJac(pDer) + invJ = transpose(self%invJac(pDer)) detJ = self%detJac(pDer) Xi = MATMUL(invJ,deltaR)/detJ @@ -915,8 +915,8 @@ MODULE moduleMesh2DCart invJ = 0.D0 - invJ(1, 1:2) = (/ pDer(2,2), -pDer(1,2) /) - invJ(2, 1:2) = (/ -pDer(2,1), pDer(1,1) /) + invJ(1, 1:2) = (/ pDer(2,2), -pDer(2,1) /) + invJ(2, 1:2) = (/ -pDer(1,2), pDer(1,1) /) invJ(3, 3) = 1.D0 END FUNCTION invJ2DCart From 3d7b1ce476a804d45fce35fbcb7a20d64c6d3186 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sun, 3 Aug 2025 22:14:19 +0200 Subject: [PATCH 185/203] Fixed! So it seems that rectangles and triangles are now working properly. I have also checked the phy2log routine, now it seems a bit more complicated, but it is much clearer. Maybe in the future is worth rethinking to improve speed (specially for quad elements) --- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 58 ++++++++++---------- src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 | 56 ++++++++++--------- 2 files changed, 58 insertions(+), 56 deletions(-) diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index eb834e5..126d40c 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -495,34 +495,36 @@ MODULE moduleMesh2DCart END FUNCTION insideQuad - !Transform physical coordinates to element coordinates + !Transform physical coordinates to element coordinates with a Taylor series PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE CLASS(meshCell2DCartQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) + REAL(8):: Xi0(1:3), detJ, pDerInv(1:2,1:2), deltaR(1:2), x0(1:2) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: pDer(1:3, 1:3) REAL(8):: conv !Iterative newton method to transform coordinates - conv = 1.D0 - XiO = 0.D0 + conv = 1.D0 + Xi0 = 0.D0 + Xi(3) = 0.D0 - f(3) = 0.D0 DO WHILE(conv > 1.D-4) - dPsi = self%dPsi(XiO, 4) - pDer = self%partialDer(4, dPsi) - detJ = self%detJac(pDer) - invJ = self%invJac(pDer) - fPsi = self%fPsi(XiO, 4) - f(1:2) = (/ DOT_PRODUCT(fPsi,self%x), & - DOT_PRODUCT(fPsi,self%y) /) - r(1:2) - Xi = XiO - MATMUL(transpose(invJ), f)/detJ - conv = MAXVAL(DABS(Xi-XiO),1) - XiO = Xi + fPsi = self%fPsi(Xi0, 4) + x0(1) = dot_product(fPsi, self%x) + x0(2) = dot_product(fPsi, self%y) + deltaR = r(1:2) - x0 + dPsi = self%dPsi(Xi0, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + pDerInv(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) + pDerInv(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) + Xi(1:2) = Xi0(1:2) + MATMUL(pDerInv, deltaR)/detJ + conv = MAXVAL(DABS(Xi(1:2)-Xi0(1:2)),1) + Xi0(1:2) = Xi(1:2) END DO @@ -680,8 +682,8 @@ MODULE moduleMesh2DCart dPsi = 0.D0 - dPsi(1,:) = (/ -1.D0, 1.D0, 0.D0 /) - dPsi(2,:) = (/ -1.D0, 0.D0, 1.D0 /) + dPsi(1,1:3) = (/ -1.D0, 1.D0, 0.D0 /) + dPsi(2,1:3) = (/ -1.D0, 0.D0, 1.D0 /) END FUNCTION dPsiTria @@ -701,8 +703,6 @@ MODULE moduleMesh2DCart pDer(2, 1:2) = (/ DOT_PRODUCT(dPsi(1,1:3),self%y(1:3)), & DOT_PRODUCT(dPsi(2,1:3),self%y(1:3)) /) - pDer(3,3) = 1.D0 - END FUNCTION partialDerTria !Gather electric field at position Xi @@ -828,19 +828,19 @@ MODULE moduleMesh2DCart CLASS(meshCell2DCartTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: deltaR(1:3) - REAL(8):: dPsi(1:3, 1:3) + REAL(8):: detJ, pDerInv(1:2,1:2), deltaR(1:2) + REAL(8):: dPsi(1:3,1:4) REAL(8):: pDer(1:3, 1:3) - REAL(8):: invJ(1:3, 1:3), detJ !Direct method to convert coordinates - Xi = 0.D0 - deltaR = (/ r(1) - self%x(1), r(2) - self%y(1), 0.D0 /) - dPsi = self%dPsi(Xi, 3) - pDer = self%partialDer(3, dPsi) - invJ = transpose(self%invJac(pDer)) - detJ = self%detJac(pDer) - Xi = MATMUL(invJ,deltaR)/detJ + Xi(3) = 0.D0 + deltaR = (/ r(1) - self%x(1), r(2) - self%y(1) /) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + pDerInv(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) + pDerInv(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) + Xi(1:2) = MATMUL(pDerInv,deltaR)/detJ END FUNCTION phy2logTria diff --git a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 index bb94440..1f5f33c 100644 --- a/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 +++ b/src/modules/mesh/2DCyl/moduleMesh2DCyl.f90 @@ -510,34 +510,36 @@ MODULE moduleMesh2DCyl END FUNCTION insideQuad - !Transform physical coordinates to element coordinates + !Transform physical coordinates to element coordinates with a Taylor series PURE FUNCTION phy2logQuad(self,r) RESULT(Xi) IMPLICIT NONE CLASS(meshCell2DCylQuad), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: XiO(1:3), detJ, invJ(1:3,1:3), f(1:3) + REAL(8):: Xi0(1:3), detJ, pDerInv(1:2,1:2), deltaR(1:2), x0(1:2) REAL(8):: dPsi(1:3,1:4), fPsi(1:4) REAL(8):: pDer(1:3, 1:3) REAL(8):: conv !Iterative newton method to transform coordinates - conv = 1.D0 - XiO = 0.D0 + conv = 1.D0 + Xi0 = 0.D0 + Xi(3) = 0.D0 - f(3) = 0.D0 DO WHILE(conv > 1.D-4) - dPsi = self%dPsi(XiO, 4) - pDer = self%partialDer(4, dPsi) - detJ = self%detJac(pDer) - invJ = self%invJac(pDer) - fPsi = self%fPsi(XiO, 4) - f(1:2) = (/ DOT_PRODUCT(fPsi,self%z), & - DOT_PRODUCT(fPsi,self%r) /) - r(1:2) - Xi = XiO - MATMUL(invJ, f)/detJ - conv = MAXVAL(DABS(Xi-XiO),1) - XiO = Xi + fPsi = self%fPsi(Xi0, 4) + x0(1) = dot_product(fPsi, self%z) + x0(2) = dot_product(fPsi, self%r) + deltaR = r(1:2) - x0 + dPsi = self%dPsi(Xi0, 4) + pDer = self%partialDer(4, dPsi) + detJ = self%detJac(pDer) + pDerInv(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) + pDerInv(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) + Xi(1:2) = Xi0(1:2) + MATMUL(pDerInv, deltaR)/detJ + conv = MAXVAL(DABS(Xi(1:2)-Xi0(1:2)),1) + Xi0(1:2) = Xi(1:2) END DO @@ -858,19 +860,19 @@ MODULE moduleMesh2DCyl CLASS(meshCell2DCylTria), INTENT(in):: self REAL(8), INTENT(in):: r(1:3) REAL(8):: Xi(1:3) - REAL(8):: deltaR(1:3) - REAL(8):: dPsi(1:3, 1:3) + REAL(8):: detJ, pDerInv(1:2,1:2), deltaR(1:2) + REAL(8):: dPsi(1:3,1:4) REAL(8):: pDer(1:3, 1:3) - REAL(8):: invJ(1:3, 1:3), detJ !Direct method to convert coordinates - Xi = 0.D0 - deltaR = (/ r(1) - self%z(1), r(2) - self%r(1), 0.D0 /) - dPsi = self%dPsi(Xi, 3) - pDer = self%partialDer(3, dPsi) - invJ = self%invJac(pDer) - detJ = self%detJac(pDer) - Xi = MATMUL(invJ,deltaR)/detJ + Xi(3) = 0.D0 + deltaR = (/ r(1) - self%z(1), r(2) - self%r(1) /) + dPsi = self%dPsi(Xi, 3) + pDer = self%partialDer(3, dPsi) + detJ = self%detJac(pDer) + pDerInv(1,1:2) = (/ pDer(2,2), -pDer(1,2) /) + pDerInv(2,1:2) = (/ -pDer(2,1), pDer(1,1) /) + Xi(1:2) = MATMUL(pDerInv,deltaR)/detJ END FUNCTION phy2logTria @@ -948,8 +950,8 @@ MODULE moduleMesh2DCyl invJ = 0.D0 - invJ(1, 1:2) = (/ pDer(2,2), -pDer(1,2) /) - invJ(2, 1:2) = (/ -pDer(2,1), pDer(1,1) /) + invJ(1, 1:2) = (/ pDer(2,2), -pDer(2,1) /) + invJ(2, 1:2) = (/ -pDer(1,2), pDer(1,1) /) invJ(3, 3) = 1.D0 END FUNCTION invJ2DCyl From 5166a650d28a65524800cbfc81a0127a20b248de Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 6 Aug 2025 10:59:03 +0200 Subject: [PATCH 186/203] Data for Kr, just to test --- data/collisions/IO_e-Kr.dat | 52 +++++++++++++++++++++++++++++++++++++ 1 file changed, 52 insertions(+) create mode 100644 data/collisions/IO_e-Kr.dat diff --git a/data/collisions/IO_e-Kr.dat b/data/collisions/IO_e-Kr.dat new file mode 100644 index 0000000..532ca4d --- /dev/null +++ b/data/collisions/IO_e-Kr.dat @@ -0,0 +1,52 @@ +# D108525 "refs": {"B56": {"note": "CLM-R294 (1989)"}} +# Relative energy (eV) cross section (m^2) +1.40E+01 0 +1.62E+01 7.249E-21 +1.88E+01 1.199E-20 +2.18E+01 1.644E-20 +2.53E+01 2.1E-20 +2.94E+01 2.542E-20 +3.41E+01 2.937E-20 +3.95E+01 3.26E-20 +4.58E+01 3.499E-20 +5.32E+01 3.653E-20 +6.17E+01 3.726E-20 +7.15E+01 3.728E-20 +8.29E+01 3.671E-20 +9.62E+01 3.566E-20 +1.12E+02 3.426E-20 +1.29E+02 3.259E-20 +1.50E+02 3.075E-20 +1.74E+02 2.881E-20 +2.02E+02 2.682E-20 +2.34E+02 2.484E-20 +2.72E+02 2.289E-20 +3.15E+02 2.101E-20 +3.65E+02 1.922E-20 +4.24E+02 1.751E-20 +4.91E+02 1.592E-20 +5.70E+02 1.443E-20 +6.61E+02 1.305E-20 +7.67E+02 1.177E-20 +8.89E+02 1.06E-20 +1.03E+03 9.526E-21 +1.20E+03 8.547E-21 +1.39E+03 7.658E-21 +1.61E+03 6.851E-21 +1.87E+03 6.121E-21 +2.16E+03 5.462E-21 +2.51E+03 4.868E-21 +2.91E+03 4.334E-21 +3.38E+03 3.855E-21 +3.92E+03 3.426E-21 +4.54E+03 3.041E-21 +5.27E+03 2.698E-21 +6.11E+03 2.391E-21 +7.09E+03 2.118E-21 +8.22E+03 1.875E-21 +9.53E+03 1.658E-21 +1.11E+04 1.466E-21 +1.28E+04 1.295E-21 +1.49E+04 1.143E-21 +1.72E+04 1.009E-21 +2.00E+04 8.898E-22 From dff9a87f0d5c39b74076f81537f6313457d9207a Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 8 Aug 2025 19:27:27 +0200 Subject: [PATCH 187/203] Implemenint injecting particles without direction I was almost sure this was implemented in the past, but it was not working. Now, if n = 0 or if n is not provided, particles are injected with the normal to the surface. --- src/modules/moduleInject.f90 | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/src/modules/moduleInject.f90 b/src/modules/moduleInject.f90 index 2a2c393..528cb91 100644 --- a/src/modules/moduleInject.f90 +++ b/src/modules/moduleInject.f90 @@ -377,7 +377,13 @@ MODULE moduleInject !Assign particle type partInj(n)%species => self%species - direction = self%n + if (all(self%n == 0.D0)) then + direction = randomEdge%normal + + else + direction = self%n + + end if partInj(n)%v = 0.D0 From 9d789ef7a67eb9e444abe4c822ca03ff2a5307e1 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Wed, 24 Sep 2025 19:33:25 +0200 Subject: [PATCH 188/203] Add citation file I think it follows the standard. --- CITATION.cff | 50 ++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 50 insertions(+) create mode 100644 CITATION.cff diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 0000000..18cd6d7 --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,50 @@ +# This CITATION.cff file was generated with cffinit. +# Visit https://bit.ly/cffinit to generate yours today! + +cff-version: 1.2.0 +title: Finite element Particle Kinetic Code +message: >- + If you use this software, please cite it using the + metadata from this file. +type: software +authors: + - given-names: Jorge + family-names: Gonzalez + email: jorge.gonzalez@upm.es + affiliation: Universidad Politécnica de Madrid + orcid: 'https://orcid.org/0000-0001-7905-5001' +repository-code: 'https://gitlab.com/JorgeGonz/fpakc' +abstract: >- + Welcome to fpakc (Finite element PArticle Kinetic Code), a + modern object oriented Fortran open-source code for + particle simulations of plasma and gases. This code works + by simulating charged and neutral particles, following + their trajectories, collisions and boundary conditions + imposed by the user. + + One of our aims is to make a code easy to maintain as well + as easy to use by a variety of reserchers and students. + + This code is currenlty in very early steps of development. + + The code aims to be easy to maintain and easy to use, + allowing its application from complex problems to easy + examples that can be used, for example, as teaching + exercises. + + Parallelization techniques such as OpenMP, MPI will be + used to distribute the cpu load. We aim to make fpakc GPU + compatible in the future. + + The codefpakc makes use of finite elements to generate + meshes in complex geometries. Particle properties are + deposited in the nodes and cells of the mesh. The + electromagnetic field, with the boundary conditions + imposed by the user, is solved also in this mesh. +keywords: + - particle-in-cell + - plasma + - finite elements +license: GPL-3.0 +version: beta +date-released: '2025-10-01' From 55e062a9efe5766b628e89f894b187911f1d7a9b Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Sat, 11 Oct 2025 14:00:16 +0200 Subject: [PATCH 189/203] Fixed issue with volume in triangles The right value in 2D Cartesian is used for calculating the volume. --- src/modules/init/moduleInput.f90 | 4 ++-- src/modules/mesh/2DCart/moduleMesh2DCart.f90 | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 18c6e65..9a8ace6 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -968,9 +968,9 @@ MODULE moduleInput !Read the 0D mesh CALL mesh%readMesh(pathMeshParticle) - !Get the volumne + !Get the volume CALL config%get(object // '.volume', volume, found) - !Rescale the volumne + !Rescale the volume IF (found) THEN mesh%cells(1)%obj%volume = mesh%cells(1)%obj%volume*volume / Vol_ref mesh%nodes(1)%obj%v = mesh%cells(1)%obj%volume diff --git a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 index 126d40c..dcd2128 100644 --- a/src/modules/mesh/2DCart/moduleMesh2DCart.f90 +++ b/src/modules/mesh/2DCart/moduleMesh2DCart.f90 @@ -577,7 +577,7 @@ MODULE moduleMesh2DCart fPsi = self%fPsi(Xi, 4) !Compute total volume of the cell - self%volume = detJ*4.D0/L_ref + self%volume = detJ*4.D0 !Compute volume per node self%n1%v = self%n1%v + fPsi(1)*self%volume self%n2%v = self%n2%v + fPsi(2)*self%volume From 9f9bacca7cc06adf790dc4902775480ad742e840 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Mon, 19 Jan 2026 14:48:06 +0100 Subject: [PATCH 190/203] Skeleton implementation of text mesh for simple 1D cases. --- src/makefile | 1 + src/modules/init/moduleInput.f90 | 15 ++++ src/modules/mesh/inout/makefile | 5 +- src/modules/mesh/inout/text/makefile | 7 ++ .../mesh/inout/text/moduleMeshInputText.f90 | 85 +++++++++++++++++++ .../mesh/inout/text/moduleMeshOutputText.f90 | 67 +++++++++++++++ 6 files changed, 179 insertions(+), 1 deletion(-) create mode 100644 src/modules/mesh/inout/text/makefile create mode 100644 src/modules/mesh/inout/text/moduleMeshInputText.f90 create mode 100644 src/modules/mesh/inout/text/moduleMeshOutputText.f90 diff --git a/src/makefile b/src/makefile index 247c7d2..83cf8db 100644 --- a/src/makefile +++ b/src/makefile @@ -9,6 +9,7 @@ OBJECTS = $(OBJDIR)/moduleMesh.o $(OBJDIR)/moduleMeshBoundary.o $(OBJDIR)/module $(OBJDIR)/moduleMeshInputVTU.o $(OBJDIR)/moduleMeshOutputVTU.o \ $(OBJDIR)/moduleMeshInputGmsh2.o $(OBJDIR)/moduleMeshOutputGmsh2.o \ $(OBJDIR)/moduleMeshInput0D.o $(OBJDIR)/moduleMeshOutput0D.o \ + $(OBJDIR)/moduleMeshInputText.o $(OBJDIR)/moduleMeshOutputText.o \ $(OBJDIR)/moduleMesh3DCart.o \ $(OBJDIR)/moduleMesh2DCyl.o \ $(OBJDIR)/moduleMesh2DCart.o \ diff --git a/src/modules/init/moduleInput.f90 b/src/modules/init/moduleInput.f90 index 9a8ace6..74da279 100644 --- a/src/modules/init/moduleInput.f90 +++ b/src/modules/init/moduleInput.f90 @@ -910,6 +910,7 @@ MODULE moduleInput USE moduleMeshInputGmsh2, ONLY: initGmsh2 USE moduleMeshInputVTU, ONLY: initVTU USE moduleMeshInput0D, ONLY: init0D + USE moduleMeshInputText, ONLY: initText USE moduleMesh3DCart USE moduleMesh2DCyl USE moduleMesh2DCart @@ -1058,6 +1059,20 @@ MODULE moduleInput END IF + case ("text") + !Check if the geometry is right. + if (mesh%dimen /= 1) then + call criticalError("Text mesh is only allowed for 1D geometries", 'readGeometry') + + end if + + !Read the mesh + call initText(mesh) + if (doubleMesh) then + call initText(meshColl) + + end if + CASE DEFAULT CALL criticalError('Mesh format ' // meshFormat // ' not defined.', 'readGeometry') diff --git a/src/modules/mesh/inout/makefile b/src/modules/mesh/inout/makefile index a93161d..1b8883d 100644 --- a/src/modules/mesh/inout/makefile +++ b/src/modules/mesh/inout/makefile @@ -1,4 +1,4 @@ -all: vtu.o gmsh2.o 0D.o +all: vtu.o gmsh2.o 0D.o text.o vtu.o: moduleMeshInoutCommon.o $(MAKE) -C vtu all @@ -9,5 +9,8 @@ gmsh2.o: 0D.o: $(MAKE) -C 0D all +text.o: + $(MAKE) -C text all + %.o: %.f90 $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/inout/text/makefile b/src/modules/mesh/inout/text/makefile new file mode 100644 index 0000000..26d0f10 --- /dev/null +++ b/src/modules/mesh/inout/text/makefile @@ -0,0 +1,7 @@ +all: moduleMeshInputText.o moduleMeshOutputText.o + +moduleMeshInputText.o: moduleMeshOutputText.o moduleMeshInputText.f90 + $(FC) $(FCFLAGS) -c $(subst .o,.f90,$@) -o $(OBJDIR)/$@ + +%.o: %.f90 + $(FC) $(FCFLAGS) -c $< -o $(OBJDIR)/$@ diff --git a/src/modules/mesh/inout/text/moduleMeshInputText.f90 b/src/modules/mesh/inout/text/moduleMeshInputText.f90 new file mode 100644 index 0000000..4e29d03 --- /dev/null +++ b/src/modules/mesh/inout/text/moduleMeshInputText.f90 @@ -0,0 +1,85 @@ +module moduleMeshInputText + !The mesh is stored as a column-wise text file. + !Aimed for simple geometries in 1D + + contains + !Inits the text mesh + subroutine initText(self) + use moduleMesh + use moduleMeshOutputText + implicit none + + class(meshGeneric), intent(inout), target:: self + + if (associated(meshForMCC,self)) then + self%printColl => printCollText + + end if + + select type(self) + type is (meshParticles) + self%printOutput => printOutputText + self%printEM => printEMText + self%printAverage => printAverageText + + self%readInitial => readInitialText + + end select + + self%readMesh => readText + + end subroutine initText + + !Reads the text mesh + subroutine readText(self, filename) + use moduleMesh + use moduleMesh1DCart + use moduleMesh1DRad + use moduleErrors + implicit none + + class(meshGeneric), intent(inout):: self + character(:), allocatable, intent(in):: filename !Dummy file, not used + integer:: fileID, reason + CHARACTER(LEN=256):: line + real(8):: r !dummy 1D coordinate + integer:: physicalID + + fileID = 10 + + open(fileID, file=trim(filename)) + + !Skip header + read(fileID) + + do + read(fileID, *, iostat=reason) r, physicalID + + if (reason > 0) then + call criticalError('Error reading mesh file', 'readText') + + else if (reason < 0) then + exit + + end if + + write(*, *) r, physicalID + + + end do + + close(fileID) + + end subroutine readText + + subroutine readInitialText(filename, density, velocity, temperature) + implicit none + + character(:), allocatable, intent(in):: filename + real(8), allocatable, intent(out), dimension(:):: density + real(8), allocatable, intent(out), dimension(:,:):: velocity + real(8), allocatable, intent(out), dimension(:):: temperature + + end subroutine readInitialText + +end module moduleMeshInputText diff --git a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 new file mode 100644 index 0000000..c1b288d --- /dev/null +++ b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 @@ -0,0 +1,67 @@ +module moduleMeshOutputText + contains + + subroutine writeSpeciesOutput(self, fileID, speciesIndex) + use moduleMesh + use moduleOutput + implicit none + + class(meshParticles), INTENT(in):: self + integer, intent(in):: fileID + integer, intent(in):: speciesIndex + + end subroutine writeSpeciesOutput + + subroutine writeCollOutput(self, fileID) + use moduleMesh + use moduleCollisions + implicit none + + class(meshGeneric), intent(in):: self + integer, intent(in):: fileID + + end subroutine writeCollOutput + + subroutine writeEMOutput(self, fileID) + use moduleMesh + use moduleRefParam + implicit none + + class(meshParticles), intent(in):: self + integer, intent(in):: fileID + + end subroutine writeEMOutput + + subroutine printOutputText(self) + use moduleMesh + implicit none + + class(meshParticles), intent(in):: self + + end subroutine printOutputText + + subroutine printCollText(self) + use moduleMesh + implicit none + + class(meshGeneric), intent(in):: self + + end subroutine printCollText + + subroutine printEMText(self) + use moduleMesh + implicit none + + class(meshParticles), intent(in):: self + + end subroutine printEMText + + subroutine printAverageText(self) + use moduleMesh + implicit none + + class(meshParticles), intent(in):: self + + end subroutine printAverageText + +end module moduleMeshOutputText From 7d4f4b98c37f86a8744fabc699bbba4253bc37e8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Mon, 19 Jan 2026 15:37:31 +0100 Subject: [PATCH 191/203] Implementing input subroutines --- .../mesh/inout/text/moduleMeshInputText.f90 | 90 +++++++++++++++++-- src/modules/mesh/moduleMesh.f90 | 8 +- 2 files changed, 88 insertions(+), 10 deletions(-) diff --git a/src/modules/mesh/inout/text/moduleMeshInputText.f90 b/src/modules/mesh/inout/text/moduleMeshInputText.f90 index 4e29d03..f28de9c 100644 --- a/src/modules/mesh/inout/text/moduleMeshInputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshInputText.f90 @@ -41,19 +41,25 @@ module moduleMeshInputText class(meshGeneric), intent(inout):: self character(:), allocatable, intent(in):: filename !Dummy file, not used integer:: fileID, reason - CHARACTER(LEN=256):: line - real(8):: r !dummy 1D coordinate + character(len=256):: line + integer:: nNodes + real(8):: r(1:3) !dummy 3D coordinate integer:: physicalID + integer:: n, c + integer, allocatable:: p(:) + integer:: bt fileID = 10 open(fileID, file=trim(filename)) !Skip header - read(fileID) + read(fileID, *) + !Get number of nodes + nNodes = 0 do - read(fileID, *, iostat=reason) r, physicalID + read(fileID, *, iostat=reason) line if (reason > 0) then call criticalError('Error reading mesh file', 'readText') @@ -61,10 +67,82 @@ module moduleMeshInputText else if (reason < 0) then exit + else if (len(line) > 0) then + nNodes = nNodes + 1 + end if - write(*, *) r, physicalID - + end do + + if (nNodes == 0) then + call criticalError('No nodes read in mesh file', 'readText') + + end if + + self%numNodes = nNodes + self%numCells = nNodes - 1 + allocate(self%nodes(1:self%numNodes)) + allocate(self%cells(1:self%numCells)) + + select type(self) + type is (meshParticles) + self%numEdges = 2 + + allocate(self%edges(1:self%numEdges)) + + end select + + !Read the mesh now + rewind(fileID) + + !Skip header + read(fileID, *) + + !Allocate nodes and edges + do n = 1, self%numNodes + r = 0.D0 + + read(fileID, *) r(1), physicalID + + select case(self%geometry) + case("Cart") + allocate(meshNode1DCart:: self%nodes(n)%obj) + + case("Rad") + allocate(meshNode1DRad:: self%nodes(n)%obj) + + end select + + !Init nodes + call self%nodes(n)%obj%init(n, r) + + !Allocate edges if required) + select type(self) + type is (meshParticles) + if ((physicalID == 1) .or. (physicalID == 2)) then + select case(self%geometry) + case("Cart") + allocate(meshEdge1DCart:: self%edges(physicalID)%obj) + + case("Rad") + allocate(meshEdge1DRad:: self%edges(physicalID)%obj) + + end select + + allocate(p(1)) + p(1) = n + bt = getBoundaryId(physicalID) + call self%edges(physicalID)%obj%init(physicalID, p, physicalID, physicalID) + deallocate(p) + + end if + + end select + + end do + + !Allocate cells + do c = 1, self%numCells end do diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 7ab3914..78cc772 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -344,10 +344,10 @@ MODULE moduleMesh !Array of cell elements TYPE(meshCellCont), ALLOCATABLE:: cells(:) !PROCEDURES SPECIFIC OF FILE TYPE - PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() - PROCEDURE(readInitial_interface), POINTER, NOPASS:: readInitial => NULL() - PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() - PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() + PROCEDURE(readMesh_interface), POINTER, PASS:: readMesh => NULL() + PROCEDURE(readInitial_interface), POINTER, NOPASS:: readInitial => NULL() + PROCEDURE(connectMesh_interface), POINTER, PASS:: connectMesh => NULL() + PROCEDURE(printColl_interface), POINTER, PASS:: printColl => NULL() CONTAINS !GENERIC PROCEDURES PROCEDURE, PASS:: doCollisions From 3083e20ff7ca72d9a43e6f5145ccab02f1dc6516 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 22 Jan 2026 14:06:20 +0100 Subject: [PATCH 192/203] Subroutine for reading mesh It is now complete and working. I also added some minor improvements to moduleMesh.f90 using 'associate' to practice. I noticed there are a lot of things (allocating K, for example) that are common for all meshes and should be moved to a general module. --- .../mesh/inout/text/moduleMeshInputText.f90 | 33 ++++++++++++++++++- src/modules/mesh/moduleMesh.f90 | 27 +++++++-------- 2 files changed, 46 insertions(+), 14 deletions(-) diff --git a/src/modules/mesh/inout/text/moduleMeshInputText.f90 b/src/modules/mesh/inout/text/moduleMeshInputText.f90 index f28de9c..26c7a6c 100644 --- a/src/modules/mesh/inout/text/moduleMeshInputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshInputText.f90 @@ -80,8 +80,18 @@ module moduleMeshInputText end if self%numNodes = nNodes - self%numCells = nNodes - 1 allocate(self%nodes(1:self%numNodes)) + + SELECT TYPE(self) + TYPE IS(meshParticles) + ALLOCATE(self%K(1:self%numNodes, 1:self%numNodes)) + ALLOCATE(self%IPIV(1:self%numNodes, 1:self%numNodes)) + self%K = 0.D0 + self%IPIV = 0 + + END SELECT + + self%numCells = nNodes - 1 allocate(self%cells(1:self%numCells)) select type(self) @@ -142,12 +152,33 @@ module moduleMeshInputText end do !Allocate cells + n = 1 + allocate(p(1:2)) do c = 1, self%numCells + p(1) = n + n = n + 1 + p(2) = n + + select case(self%geometry) + case("Cart") + allocate(meshCell1DCartSegm:: self%cells(c)%obj) + + case("Rad") + allocate(meshCell1DRadSegm:: self%cells(c)%obj) + + end select + + call self%cells(c)%obj%init(c, p, self%nodes) + end do + deallocate(p) close(fileID) + !Call mesh connectivity + CALL self%connectMesh + end subroutine readText subroutine readInitialText(filename, density, velocity, temperature) diff --git a/src/modules/mesh/moduleMesh.f90 b/src/modules/mesh/moduleMesh.f90 index 78cc772..01b03c7 100644 --- a/src/modules/mesh/moduleMesh.f90 +++ b/src/modules/mesh/moduleMesh.f90 @@ -499,28 +499,29 @@ MODULE moduleMesh IMPLICIT NONE CLASS(meshParticles), INTENT(inout):: self - INTEGER:: e - INTEGER:: nNodes + INTEGER:: c INTEGER, ALLOCATABLE:: n(:) REAL(8), ALLOCATABLE:: localK(:,:) INTEGER:: i, j - DO e = 1, self%numCells - nNodes = self%cells(e)%obj%nNodes - ALLOCATE(n(1:nNodes)) - ALLOCATE(localK(1:nNodes, 1:nNodes)) - n = self%cells(e)%obj%getNodes(nNodes) - localK = self%cells(e)%obj%elemK(nNodes) + DO c = 1, self%numCells + associate(nNodes => self%cells(c)%obj%nNodes) + ALLOCATE(n(1:nNodes)) + ALLOCATE(localK(1:nNodes, 1:nNodes)) + n = self%cells(c)%obj%getNodes(nNodes) + localK = self%cells(c)%obj%elemK(nNodes) - DO i = 1, nNodes - DO j = 1, nNodes - self%K(n(i), n(j)) = self%K(n(i), n(j)) + localK(i, j) + DO i = 1, nNodes + DO j = 1, nNodes + self%K(n(i), n(j)) = self%K(n(i), n(j)) + localK(i, j) + + END DO END DO - END DO + DEALLOCATE(n, localK) - DEALLOCATE(n, localK) + end associate END DO From 27158c7c1dbb1592f7952cef775dd42116e89d97 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Thu, 22 Jan 2026 18:44:25 +0100 Subject: [PATCH 193/203] Output for species First output done. Now it is mostly Copy Paste. There are so many things I need to reform in other parts... Learning new things is awful. --- .../mesh/inout/text/moduleMeshOutputText.f90 | 34 +++++++++++++++++++ .../mesh/inout/vtu/moduleMeshOutputVTU.f90 | 2 +- 2 files changed, 35 insertions(+), 1 deletion(-) diff --git a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 index c1b288d..e5ac44d 100644 --- a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 @@ -4,11 +4,24 @@ module moduleMeshOutputText subroutine writeSpeciesOutput(self, fileID, speciesIndex) use moduleMesh use moduleOutput + use moduleRefParam, only: L_ref implicit none class(meshParticles), INTENT(in):: self integer, intent(in):: fileID integer, intent(in):: speciesIndex + type(outputFormat):: output + real(8):: r(1:3) + integer:: n + + do n = 1, self%numNodes + call calculateOutput(self%nodes(n)%obj%output(speciesIndex), output, self%nodes(n)%obj%v, species(speciesIndex)%obj) + r = self%nodes(n)%obj%getCoordinates() + + write(fileID, '(5(ES0.6E3,","),ES0.6E3)') r(1)*L_ref, output%density, output%velocity, output%temperature + + end do + end subroutine writeSpeciesOutput @@ -34,10 +47,31 @@ module moduleMeshOutputText subroutine printOutputText(self) use moduleMesh + use moduleSpecies + use moduleMeshInoutCommon + use moduleCaseParam, ONLY: timeStep implicit none class(meshParticles), intent(in):: self + INTEGER:: s, fileID + character(:), allocatable:: fileName + + fileID = 60 + + do s = 1, nSpecies + fileName = formatFileName(prefix, species(s)%obj%name, 'csv', timeStep) + write(*, "(6X,A15,A)") "Creating file: ", fileName + open (fileID, file = path // folder // '/' // fileName) + + write(fileID, '(5(A,","),A)') 'Position (m)', 'Density (m^-3)', 'Velocity:1 (m s^-1)', 'Velocity:2 (m s^-1)', 'Velocity:3 (m s^-1)', 'Temperature (K)' + + call writeSpeciesOutput(self, fileID, s) + + close(fileID) + + end do + end subroutine printOutputText subroutine printCollText(self) diff --git a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 index 81e4bbf..8e8f91a 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshOutputVTU.f90 @@ -11,7 +11,7 @@ MODULE moduleMeshOutputVTU WRITE(fileID,"(A)") '' WRITE(fileID,"(2X, A)") '' - WRITE(fileID,"(4X, A,ES20.6E3,A)") '' + WRITE(fileID,"(4X, A)") '' WRITE(fileID,"(6X, A, I10, A, I10, A)") '' END SUBROUTINE writeHeader From 8c8c6409f6db713f70655318d2d148263997e496 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 12:16:52 +0100 Subject: [PATCH 194/203] Output for EM The output for the EM field properties is done. --- .../mesh/inout/text/moduleMeshOutputText.f90 | 68 ++++++++++++++++++- 1 file changed, 65 insertions(+), 3 deletions(-) diff --git a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 index e5ac44d..fb067c3 100644 --- a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 @@ -22,7 +22,6 @@ module moduleMeshOutputText end do - end subroutine writeSpeciesOutput subroutine writeCollOutput(self, fileID) @@ -37,11 +36,35 @@ module moduleMeshOutputText subroutine writeEMOutput(self, fileID) use moduleMesh - use moduleRefParam + use moduleRefParam, only: L_ref, Volt_ref, B_ref, EF_ref implicit none class(meshParticles), intent(in):: self integer, intent(in):: fileID + integer:: n, c + real(8):: r(1:3), Xi(1:3) + + do n = 1, self%numNodes + r = self%nodes(n)%obj%getCoordinates() + if (n == self%numNodes) then + Xi = (/ 1.D0, 0.D0, 0.D0 /) + c = self%numNodes - 1 + + else + Xi = (/ 0.D0, 0.D0, 0.D0 /) + c = n + + end if + + associate(output => self%nodes(n)%obj%emData) + write(fileID, '(7(ES0.6E3,","),ES0.6E3)') r(1)*L_ref, & + output%phi*Volt_ref, & + self%cells(c)%obj%gatherElectricField(Xi)*EF_ref, & + output%B*B_ref + + end associate + + end do end subroutine writeEMOutput @@ -64,7 +87,10 @@ module moduleMeshOutputText write(*, "(6X,A15,A)") "Creating file: ", fileName open (fileID, file = path // folder // '/' // fileName) - write(fileID, '(5(A,","),A)') 'Position (m)', 'Density (m^-3)', 'Velocity:1 (m s^-1)', 'Velocity:2 (m s^-1)', 'Velocity:3 (m s^-1)', 'Temperature (K)' + write(fileID, '(5(A,","),A)') 'Position (m)', & + 'Density (m^-3)', & + 'Velocity (m s^-1):0', 'Velocity (m s^-1):1', 'Velocity (m s^-1):2', & + 'Temperature (K)' call writeSpeciesOutput(self, fileID, s) @@ -76,17 +102,53 @@ module moduleMeshOutputText subroutine printCollText(self) use moduleMesh + use moduleOutput + use moduleMeshInoutCommon + use moduleCaseParam, only: timeStep implicit none class(meshGeneric), intent(in):: self + integer:: fileID + character(:), allocatable:: fileName + + fileID = 62 + + if (collOutput) then + fileName = formatFileName(prefix, 'Collisions', 'csv', timeStep) + write(*, "(6X,A15,A)") "Creating file: ", fileName + open (fileID, file = path // folder // '/' // fileName) + + end if end subroutine printCollText subroutine printEMText(self) use moduleMesh + use moduleMeshInoutCommon + use moduleCaseParam, only: timeStep implicit none class(meshParticles), intent(in):: self + integer:: fileID + character(:), allocatable:: fileName + + fileID = 64 + + if (emOutput) then + fileName = formatFileName(prefix, 'EMField', 'csv', timeStep) + write(*, "(6X,A15,A)") "Creating file: ", fileName + open (fileID, file = path // folder // '/' // fileName) + + write(fileID, '(8(A,","),A)') 'Position (m)', & + 'Potential (V)', & + 'Electric Field (V m^-1):0', 'Electric Field (V m^-1):1', 'Electric Field (V m^-1):2', & + 'Magnetic Field (T):0', 'Magnetic Field (T):1', 'Magnetic Field (T):2' + + call writeEMOutput(self, fileID) + + close(fileID) + + end if end subroutine printEMText From 46b9f263ea173e2ae00d1ac2609fb19fb868f7f8 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 14:26:39 +0100 Subject: [PATCH 195/203] Average done Now we can output averages in this format. --- .../mesh/inout/text/moduleMeshOutputText.f90 | 75 ++++++++++++++++++- 1 file changed, 73 insertions(+), 2 deletions(-) diff --git a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 index fb067c3..0eb6a21 100644 --- a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 @@ -10,13 +10,13 @@ module moduleMeshOutputText class(meshParticles), INTENT(in):: self integer, intent(in):: fileID integer, intent(in):: speciesIndex - type(outputFormat):: output real(8):: r(1:3) + type(outputFormat):: output integer:: n do n = 1, self%numNodes - call calculateOutput(self%nodes(n)%obj%output(speciesIndex), output, self%nodes(n)%obj%v, species(speciesIndex)%obj) r = self%nodes(n)%obj%getCoordinates() + call calculateOutput(self%nodes(n)%obj%output(speciesIndex), output, self%nodes(n)%obj%v, species(speciesIndex)%obj) write(fileID, '(5(ES0.6E3,","),ES0.6E3)') r(1)*L_ref, output%density, output%velocity, output%temperature @@ -68,6 +68,41 @@ module moduleMeshOutputText end subroutine writeEMOutput + subroutine writeAverage(self, fileIDMean, & + fileIDDeviation, & + speciesIndex) + + use moduleMesh + use moduleOutput + use moduleAverage + use moduleRefParam, only: L_ref + implicit none + + class(meshParticles), intent(in):: self + integer, intent(in):: fileIDMean, fileIDDeviation + INTEGER, intent(in):: speciesIndex + real(8):: r(1:3) + type(outputFormat):: outputMean + type(outputFormat):: outputDeviation + integer:: n + + do n = 1, self%numNodes + r = self%nodes(n)%obj%getCoordinates() + + call calculateOutput(averageScheme(n)%mean%output(speciesIndex), outputMean, & + self%nodes(n)%obj%v, species(speciesIndex)%obj) + + write(fileIDMean, '(5(ES0.6E3,","),ES0.6E3)') r(1)*L_ref, outputMean%density, outputMean%velocity, outputMean%temperature + + call calculateOutput(averageScheme(n)%deviation%output(speciesIndex), outputDeviation, & + self%nodes(n)%obj%v, species(speciesIndex)%obj) + + write(fileIDDeviation, '(5(ES0.6E3,","),ES0.6E3)') r(1)*L_ref, outputDeviation%density, outputDeviation%velocity, outputDeviation%temperature + + end do + + end subroutine writeAverage + subroutine printOutputText(self) use moduleMesh use moduleSpecies @@ -118,6 +153,8 @@ module moduleMeshOutputText write(*, "(6X,A15,A)") "Creating file: ", fileName open (fileID, file = path // folder // '/' // fileName) + close(fileID) + end if end subroutine printCollText @@ -154,9 +191,43 @@ module moduleMeshOutputText subroutine printAverageText(self) use moduleMesh + use moduleSpecies + use moduleMeshInoutCommon implicit none class(meshParticles), intent(in):: self + integer:: s + integer:: fileIDMean, fileIDDeviation + character(:), allocatable:: fileNameMean, fileNameDeviation + + fileIDMean = 66 + fileIDDeviation = 67 + + do s = 1, nSpecies + fileNameMean = formatFileName('Average_mean', species(s)%obj%name, 'csv', timeStep) + write(*, "(6X,A15,A)") "Creating file: ", fileNameMean + open (fileIDMean, file = path // folder // '/' // fileNameMean) + + write(fileIDMean, '(5(A,","),A)') 'Position (m)', & + 'Density, mean (m^-3)', & + 'Velocity, mean (m s^-1):0', 'Velocity (m s^-1):1', 'Velocity (m s^-1):2', & + 'Temperature, mean (K)' + + fileNameDeviation = formatFileName('Average_deviation', species(s)%obj%name, 'csv', timeStep) + write(*, "(6X,A15,A)") "Creating file: ", fileNameDeviation + open (fileIDDeviation, file = path // folder // '/' // fileNameDeviation) + + write(fileIDDeviation, '(5(A,","),A)') 'Position (m)', & + 'Density, deviation (m^-3)', & + 'Velocity, deviation (m s^-1):0', 'Velocity (m s^-1):1', 'Velocity (m s^-1):2', & + 'Temperature, deviation (K)' + + call writeAverage(self, fileIDMean, fileIDDeviation, s) + + close(fileIDMean) + close(fileIDDeviation) + + end do end subroutine printAverageText From d34e72d2e8c4f4d5e6acad173783a6a182731717 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 14:51:49 +0100 Subject: [PATCH 196/203] Collisions done Thanks to the advance statement the output of collisions is done. --- .../mesh/inout/text/moduleMeshOutputText.f90 | 31 +++++++++++++++++++ 1 file changed, 31 insertions(+) diff --git a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 index 0eb6a21..d69ddda 100644 --- a/src/modules/mesh/inout/text/moduleMeshOutputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshOutputText.f90 @@ -27,10 +27,26 @@ module moduleMeshOutputText subroutine writeCollOutput(self, fileID) use moduleMesh use moduleCollisions + use moduleRefParam, only: L_ref implicit none class(meshGeneric), intent(in):: self integer, intent(in):: fileID + integer:: n, k, c + + do n = 1, self%numCells + write(fileID, '(I0)', advance='no') n + + do k = 1, nCollPairs + do c = 1, interactionMatrix(k)%amount + write(fileID, '(",",I0)', advance='no') self%cells(n)%obj%tallyColl(k)%tally(c) + + end do + + end do + write(fileID, *) + + end do end subroutine writeCollOutput @@ -145,6 +161,8 @@ module moduleMeshOutputText class(meshGeneric), intent(in):: self integer:: fileID character(:), allocatable:: fileName + integer:: k, c + character (len=2):: cString fileID = 62 @@ -153,6 +171,19 @@ module moduleMeshOutputText write(*, "(6X,A15,A)") "Creating file: ", fileName open (fileID, file = path // folder // '/' // fileName) + write(fileID, '(A)', advance='no') "Cell" + do k = 1, nCollPairs + do c = 1, interactionMatrix(k)%amount + write(cString, "(I2)") c + write(fileID, '(",",A)', advance='no') 'Pair ' // interactionMatrix(k)%sp_i%name // '-' // interactionMatrix(k)%sp_j%name // ' collision ' // cString + + end do + end do + + write(fileID, *) + + call writeCollOutput(self, fileID) + close(fileID) end if From 1b1a574edc9e85c7c87bc906e781358cbfd2cfea Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 15:04:39 +0100 Subject: [PATCH 197/203] Read initial Now we can read an initial condition as we do with other formats. Only documentation left. --- .../mesh/inout/text/moduleMeshInputText.f90 | 38 +++++++++++++++++++ .../mesh/inout/vtu/moduleMeshInputVTU.f90 | 2 + 2 files changed, 40 insertions(+) diff --git a/src/modules/mesh/inout/text/moduleMeshInputText.f90 b/src/modules/mesh/inout/text/moduleMeshInputText.f90 index 26c7a6c..a41e6d3 100644 --- a/src/modules/mesh/inout/text/moduleMeshInputText.f90 +++ b/src/modules/mesh/inout/text/moduleMeshInputText.f90 @@ -182,12 +182,50 @@ module moduleMeshInputText end subroutine readText subroutine readInitialText(filename, density, velocity, temperature) + use moduleErrors implicit none character(:), allocatable, intent(in):: filename real(8), allocatable, intent(out), dimension(:):: density real(8), allocatable, intent(out), dimension(:,:):: velocity real(8), allocatable, intent(out), dimension(:):: temperature + integer:: fileID, reason + character(len=256):: line + integer:: nNodes + integer:: n + + fileID = 10 + + open(fileID, file=trim(filename)) + + do + read(fileID, *, iostat=reason) line + + if (reason > 0) then + call criticalError('Error reading mesh file', 'readText') + + else if (reason < 0) then + exit + + else if (len(line) > 0) then + nNodes = nNodes + 1 + + end if + + end do + + allocate(density(1:nNodes)) + allocate(velocity(1:nNodes, 1:3)) + allocate(temperature(1:nNodes)) + + rewind(fileID) + + do n = 1, nNodes + read(fileID, *) density(n), velocity(n, 1:3), temperature(n) + + end do + + close(fileID) end subroutine readInitialText diff --git a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 index e07db01..c7b89b5 100644 --- a/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 +++ b/src/modules/mesh/inout/vtu/moduleMeshInputVTU.f90 @@ -548,6 +548,8 @@ MODULE moduleMeshInputVTU CALL readDataBlock(fileID, numNodes, temperature) REWIND(fileID) + close(fileID) + END SUBROUTINE readInitialVTU END MODULE moduleMeshInputVTU From 0c0017b84aaf27bf2deab22d2d95b1e7ce58a6cd Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 15:21:26 +0100 Subject: [PATCH 198/203] txs auto checkin --- doc/user-manual/fpakc_UserManual.tex | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/doc/user-manual/fpakc_UserManual.tex b/doc/user-manual/fpakc_UserManual.tex index e572331..845cc9a 100644 --- a/doc/user-manual/fpakc_UserManual.tex +++ b/doc/user-manual/fpakc_UserManual.tex @@ -1,5 +1,5 @@ \documentclass[10pt,a4paper,twoside]{book} -\usepackage[latin1]{inputenc} +%\usepackage[latin1]{inputenc} \usepackage{amsmath} \usepackage{amsfonts} \usepackage{amssymb} @@ -460,6 +460,10 @@ make \begin{itemize} \item \textbf{gmsh2}: \Gls{gmsh} file format in version 2.0. This has to be in ASCII format. \item \textbf{vtu}: \Gls{vtu} file format. This has to be in ASCII format. + \item \textbf{text}: Plain text file format only intended for 1D cases. + This has to be in ASCII format and comma separated. + The first column represents the position and the second column the physical ID of the node. + Values have to be $1$ (left boundary), $2$ (right boundary), or $0$ (no boundary.) \end{itemize} \item \textbf{meshFile}: Character. Mesh filename. From 56a17300f3fc872be2e1ae0f80b207bafe3e7f51 Mon Sep 17 00:00:00 2001 From: JGonzalez Date: Fri, 23 Jan 2026 15:26:23 +0100 Subject: [PATCH 199/203] Change in manual --- doc/logos/fpakc.pdf | Bin 0 -> 6823 bytes doc/user-manual/figures/logos/PPartiC.eps | 177 ------------ doc/user-manual/figures/logos/PPartiC.svg | 159 ----------- doc/user-manual/figures/logos/fpakc.eps | 294 -------------------- doc/user-manual/figures/scatteringQuad.eps | 303 --------------------- doc/user-manual/fpakc_UserManual.pdf | Bin 187186 -> 271611 bytes 6 files changed, 933 deletions(-) create mode 100644 doc/logos/fpakc.pdf delete mode 100644 doc/user-manual/figures/logos/PPartiC.eps delete mode 100644 doc/user-manual/figures/logos/PPartiC.svg delete mode 100644 doc/user-manual/figures/logos/fpakc.eps delete mode 100644 doc/user-manual/figures/scatteringQuad.eps diff --git a/doc/logos/fpakc.pdf b/doc/logos/fpakc.pdf new file mode 100644 index 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