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Merge branch 'feature/collisionTimeStep' into 'development'

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Adding a time step for collisions

See merge request JorgeGonz/fpakc!22
This commit is contained in:
Jorge Gonzalez 2021-06-15 08:49:19 +00:00
commit 2d3b163700
9 changed files with 88 additions and 53 deletions
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BIN
doc/user-manual/fpakc_UserManual.pdf
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10
doc/user-manual/fpakc_UserManual.tex
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@ -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}).

2
src/fpakc.f90
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@ -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

4
src/modules/mesh/inout/0D/moduleMeshOutput0D.f90
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@ -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

2
src/modules/mesh/inout/gmsh2/moduleMeshOutputGmsh2.f90
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@ -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

81
src/modules/mesh/moduleMesh.f90
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@ -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

1
src/modules/moduleCaseParam.f90
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@ -4,6 +4,7 @@ MODULE moduleCaseParam
INTEGER:: tFinal, tInitial = 0
REAL(8), ALLOCATABLE:: tau(:)
REAL(8):: tauMin
REAL(8):: tauColl
END MODULE moduleCaseParam

3
src/modules/moduleCollisions.f90
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@ -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

38
src/modules/moduleInput.f90
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@ -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)