From b609430b3c22fe88340b2b1a01c01f7522be6d66 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 12 Jan 2021 18:41:42 +0100 Subject: [PATCH 1/2] First version of manual incorporated into the main repository. Information added to account for changes in collisional processes mostly. --- doc/PPartiC_UserManual.pdf | Bin 139273 -> 0 bytes doc/user-manual/.gitignore | 21 + doc/user-manual/bibliography.bib | 44 ++ 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/logos/fpakc.svg | 331 ++++++++++++ doc/user-manual/figures/scatteringQuad.eps | 303 +++++++++++ doc/user-manual/figures/scatteringQuad.svg | 241 +++++++++ doc/user-manual/fpakc_UserManual.pdf | Bin 0 -> 151066 bytes doc/user-manual/fpakc_UserManual.tex | 594 +++++++++++++++++++++ 11 files changed, 2164 insertions(+) delete mode 100644 doc/PPartiC_UserManual.pdf create mode 100644 doc/user-manual/.gitignore create mode 100644 doc/user-manual/bibliography.bib create mode 100644 doc/user-manual/figures/logos/PPartiC.eps create mode 100644 doc/user-manual/figures/logos/PPartiC.svg create mode 100644 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b/doc/user-manual/bibliography.bib new file mode 100644 index 0000000..e47b75d --- /dev/null +++ b/doc/user-manual/bibliography.bib @@ -0,0 +1,44 @@ +% 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}, +} + +@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;} diff --git a/doc/user-manual/figures/logos/PPartiC.eps b/doc/user-manual/figures/logos/PPartiC.eps new file mode 100644 index 0000000..5517180 --- /dev/null +++ b/doc/user-manual/figures/logos/PPartiC.eps @@ -0,0 +1,177 @@ +%!PS-Adobe-3.0 EPSF-3.0 +%%Creator: cairo 1.16.0 (https://cairographics.org) +%%CreationDate: Wed Oct 07 12:01:13 2020 +%%Pages: 1 +%%DocumentData: Clean7Bit +%%LanguageLevel: 2 +%%BoundingBox: 6 7 205 57 +%%EndComments +%%BeginProlog +50 dict begin +/q { gsave } bind def +/Q { grestore } bind def +/cm { 6 array astore concat } bind def +/w { setlinewidth } bind def +/J { setlinecap } bind def +/j { setlinejoin } bind def +/M { setmiterlimit } bind def +/d { setdash } bind def +/m { moveto } bind def +/l { lineto } bind def +/c { curveto } bind def +/h { closepath } bind def +/re { exch dup neg 3 1 roll 5 3 roll moveto 0 rlineto + 0 exch rlineto 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json-fortran repository with: + \begin{lstlisting} +git clone https://github.com/jacobwilliams/json-fortran.git + \end{lstlisting} + This will create the \lstinline|json-fortran-8.2.0| directory. + Go into this new folder and create a new \lstinline|build-gfortran| directory, enter it and execute: + \begin{lstlisting} +cmake ../ + \end{lstlisting} + Once it finish, just compile the json-fortran library with + \begin{lstlisting} +make + \end{lstlisting} + This creates the \lstinline|include| and \lstinline|lib| folders that contain the required files for \acrshort{fpakc} compilation. + + Go back to the \acrshort{fpakc} root folder and execute + \begin{lstlisting} +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. + 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. + The mesh file contains the descriptions for the different elements composing a mesh (nodes, edges and volumes). + The case file contains the required information to define a simulation case: reference parameters, initial state, injection of particles, boundary conditions, species, number of iterations\ldots + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Mesh file} + \Gls{fpakc} accepts right now the version 2.0 of \Gls{gmsh} mesh format .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. + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \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. + 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. +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{output} + The object \textbf{output} in the \Gls{json} case file determines the different options to define how and when the simulation produces files: + The available options are: + \begin{itemize} + \item \textbf{path}: Character. + Path for the output files. This path is also used to locate the mesh input file. + \item \textbf{triggerOutput}: Integer. + Determines the number of iterations between writing output files for macroscopic quantities. + \item \textbf{cpuTime}: Logical. + Determines if the \Gls{cpu} time per iteration is written into a file. + Each row in the file determine the iteration, number of particles in the simulation and the multiple times spend per action. + Each action in the iteration (pushing, collisions, weighting\ldots) has its own column. + \item \textbf{triggerCPUTime}: Integer. + Determines the number of iterations between writing \Gls{cpu} time for macroscopic quantities. + This option is irrelevant if \textbf{cpuTime} is set to \textit{false}. + \item \textbf{numColl}: Logical. + Determines if the number of collisions per cell are outputted in a separated file. + Trigger between writings is the same as in \textbf{triggerOutput}. + \item \textbf{EMField}: Logical. + Determines if the electromagnetic field is printed. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{geometry} + The object \textbf{geometry} contains information about the type of geometry, the mesh file format and the mesh filename. + The accepted parameters are: + \begin{itemize} + \item \textbf{type}: Character. + Type of geometry. + Current accepted vaules are + \begin{itemize} + \item \textbf{2DCyl}: Two-dimensional grid (z-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 + For \Gls{gmsh} mesh format, the coordinates $x$ corresponds to $r$. + \end{itemize} + \item \textbf{meshType}: Character. + Format of mesh file. + Currently, only the value \textbf{gmsh} is accepted, which makes reference to \Gls{gmsh} v2.0 output format. + \item \textbf{meshFile}: Character. + Mesh filename. + This file is searched in the path \textbf{output.path} and must contain the file extension. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{species} + The array object \textbf{species} contains the data relevant to identify the different species in the simulation. + Multiple species can be defined as elements in the array. + For each species, the following parameters need to be defined: + \begin{itemize} + \item \textbf{name}: Character. + Name of the species. + \item \textbf{type}: Character. + Defines the type of species. + Current values are: + \begin{itemize} + \item \textbf{neutral}: Neutral species. + \item \textbf{charged}: Charged species. + The parameter \textbf{charge} is required for this type of species. + \end{itemize} + \item \textbf{mass}: Real. + Particle mass in $\unit{kg}$. + \item \textbf{charge}: Real. + Particle charge in elementary charge units. + This parameter is only relevant if \textbf{type} is \textbf{charged}. + \item \textbf{ion}: Character. + Name of species resulting of ionizing the current one. + \item \textbf{neutral}: Character. + Name of species resulting of neutralizing the current one. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{boundary} + The array object \textbf{boundary} determines the interaction between surfaces and particles. + These boundaries need to be linked to a specific edge in the mesh. + The accepted variables are: + \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{axis}: Identifies the symmetry axis for 2D cylindrical simulations. + It has no actual function. + \end{itemize} + \item \textbf{physicalSurface}: Integer. + Identification of the edge in the mesh file. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{boundaryEM} + The array object \textbf{boundaryEM} determines the boundary conditions for the electromagnetic field. + As with the \textbf{boundary} definition, these must be linked to an edge identified in the mesh file. + The variables for each array element are: + \begin{itemize} + \item \textbf{name}: Character. + Name of the boundary. + \item \textbf{type}: Character. + Type of boundary. + Accepted values are: + \begin{itemize} + \item \textbf{dirichlet}: Elastic reflection of particles. + \end{itemize} + \item \textbf{potential}: Real. + Fixed potential for Dirichlet boundary condition. + \item \textbf{physicalSurface}: Integer. + Identification of the edge in the mesh file. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \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. + Multiple injections can be associated to the same surface. + \begin{itemize} + \item \textbf{name}: Character. + Name of the injection. + \item \textbf{species}: Character. + Name of the species that is being injected. + \item \textbf{flow}: Real. + Flow of particles going through the surface. + \item \textbf{units}: Character. + Units for the \textbf{flow} parameter. + Available values are: + \begin{itemize} + \item \textbf{A}: Ampere. + \item \textbf{sccm}: Standard cubic centimeter. + \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 $1$. + \item \textbf{velDist}: Character. + Array dimension $3$. + 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{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. + Array dimension $3$. + Temperature in each direction. + \item \textbf{physicalSurface}: Integer. + Identification of the edge in the mesh file. + \end{itemize} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{reference} + This object indicates the reference values used by \Gls{fpakc} to scale the problem variables. + The required parameters are: + \begin{itemize} + \item \textbf{density}: Real. + Reference density in $\unit{m^-3}$. + \item \textbf{mass}: Real. + Reference particle mass in $\unit{kg}$. + \item \textbf{temperature}: Real. + Reference temperature in $\unit{K}$. + \item \textbf{radius}: Real. + Reference atomic radius in $\unit{m}$. + \item \textbf{crossSection}: Real. + Reference cross section in $\unit{m^2}$. + If this value is present, radius is ignored. + \end{itemize} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{case} + This object determines the simulation time, time step, pushers, weighting scheme and solver for the electromagnetic field. + Accepted variables are: + \begin{itemize} + \item \textbf{tau}: Real. + 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. + \item \textbf{time}: Real. + Total simulation time in $\unit{s}$. + \item \textbf{pusher}: Character. + 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. + \end{itemize} + \item \textbf{WeightingScheme}: Character. + Indicates the variable weighting scheme to be used in the simulation. + Check Section \ref{sec:weightingScheme} for more information. + If this variable is not present, no scheme is used. + The current available schemes are: + \begin{itemize} + \item \textbf{Volume}: Modifies particle weight as a function of cell volume. + \end{itemize} + \item \textbf{EMSolver}: Character. + Determines the solver for the electromagnetic field. + 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. + \end{itemize} + \item \textbf{initial}: Object. + Array. + Determines initial values for the species. + Required values are: + \begin{itemize} + \item \textbf{speciesName}: Character. + Name of 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. + 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} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{interactions}\label{ssec:input_interactions} + This object determine 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. + \item \textbf{collisions}: Object. + Array. + Contains the different binary collisions. + Multiple collision types can be defined for each pair of species. + Each object in the array is defined by: + \begin{itemize} + \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. + Defines all the collisions between \textbf{species\_i} and \textbf{species\_j}. + Required values are: + \begin{itemize} + \item \textbf{type}: Character. + Collision type. + 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 $\unit{m^-2}$). + \item \textbf{energyThreshold}: Real. + Energy threshold of the collisional process in $\unit{eV}$. + Only valid for \textbf{ionization} and \textbf{recombination} processes. + \item \textbf{electron}: Character. + Name of species designed as electrons. + Only valid for \textbf{ionization} and \textbf{recombination} processes. + \end{itemize} + \end{itemize} + \end{itemize} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \subsection{parallel} + This object contains the information related to parallelization of \Gls{fpakc}. + Current values accepted are: + \begin{itemize} + \item \textbf{OpenMP}: Object. + Defines the parameters for the \Gls{openmp} shared memory parallelization. + \begin{itemize} + \item \textbf{nThreads}: Integer. + Number of threads to be used by \Gls{openmp}. + Try to match this to the number of threads of the \acrshort{cpu} used. + \end{itemize} + + \end{itemize} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \chapter{Example runs\label{ch:exampleRuns}} + \section{1D Cathode} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{ALPHIE Grid system} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \section{Flow around cylinder} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \printglossaries + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% + \printbibliography + +\end{document} From fc272be08fe1cacda2fcd18a29e4f20830761231 Mon Sep 17 00:00:00 2001 From: Jorge Gonzalez Date: Tue, 19 Jan 2021 10:46:09 +0100 Subject: [PATCH 2/2] New version of the manual explaining briefly collisional processes and the examples. README.md updated to include basic installation instructions. Small changes to input files (just formatting) --- README.md | 32 +++++++- doc/user-manual/fpakc_UserManual.pdf | Bin 151066 -> 155571 bytes doc/user-manual/fpakc_UserManual.tex | 25 +++++- runs/1D_Cathode/inputCart.json | 4 +- runs/1D_Cathode/inputRad.json | 2 +- runs/ALPHIE_Grid/mesh.geo | 114 +++++++++++++++++++++++++++ 6 files changed, 169 insertions(+), 8 deletions(-) create mode 100644 runs/ALPHIE_Grid/mesh.geo diff --git a/README.md b/README.md index 88cfbef..149ac51 100644 --- a/README.md +++ b/README.md @@ -13,8 +13,36 @@ The codefpakc makes use of finite elements to generate meshes in complex geometr # User Manual -You will find the user manual in the *doc* folder. +You will find the user manual in the *doc/user-manual/* folder. It contains information about the installation of fpkac, how to run the software, the example cases distributed with the code and how the code operates. # Installation -To install the software ... +Once you have been added to the fpakc gitlab repository, and have added an ssh key to your account, you will be able to clone the repository using: +``` +git clone git@gitlab.com:/fpakc.git +``` +in which you have to substitute `` for your gitlab username. + +Go into the new downloaded directory with +``` +cd fpakc +``` +Clone the json-fortran repository with: +``` +git clone https://github.com/jacobwilliams/json-fortran.git +``` +This will create the `json-fortran-8.2.0` directory. Go into this new folder and create a new `build-gfortran` directory, enter it and execute: +``` +cmake ../ +``` +Once it finish, just compile the json-fortran library with +``` +make +``` +This creates the `include` and `lib` folders that contain the required files for fpakc compilation. + +Go back to the fpakc root folder and execute +``` +make +``` +to compile the code. 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