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Merge pull request #1 from openmc-dev/develop

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Updating fork
This commit is contained in:
Amelia J Trainer 2021-03-02 22:11:33 -05:00 • committed by GitHub
commit 342101e88e
1768 changed files with 265258 additions and 103952 deletions
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108
.clang-format Normal file
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---
Language: Cpp
# BasedOnStyle: Mozilla
AccessModifierOffset: -2
AlignAfterOpenBracket: DontAlign
AlignConsecutiveAssignments: false
AlignConsecutiveDeclarations: false
AlignEscapedNewlines: Right
AlignOperands: true
AlignTrailingComments: true
AllowAllParametersOfDeclarationOnNextLine: false
AllowShortBlocksOnASingleLine: false
AllowShortCaseLabelsOnASingleLine: false
AllowShortFunctionsOnASingleLine: Inline
AllowShortIfStatementsOnASingleLine: false
AllowShortLoopsOnASingleLine: false
AlwaysBreakAfterDefinitionReturnType: None
AlwaysBreakAfterReturnType: None
AlwaysBreakBeforeMultilineStrings: false
AlwaysBreakTemplateDeclarations: Yes
BinPackArguments: true
BinPackParameters: true
BraceWrapping:
AfterClass: false
AfterControlStatement: false
AfterEnum: false
AfterFunction: true
AfterNamespace: false
AfterObjCDeclaration: false
AfterStruct: false
AfterUnion: false
AfterExternBlock: false
BeforeCatch: false
BeforeElse: false
IndentBraces: false
SplitEmptyFunction: false
SplitEmptyRecord: false
SplitEmptyNamespace: true
BreakBeforeBinaryOperators: None
BreakBeforeBraces: Custom
BreakInheritanceList: BeforeColon
BreakBeforeTernaryOperators: true
BreakConstructorInitializers: BeforeColon
BreakStringLiterals: true
ColumnLimit: 80
CommentPragmas: '^ IWYU pragma:'
CompactNamespaces: false
ConstructorInitializerAllOnOneLineOrOnePerLine: false
ConstructorInitializerIndentWidth: 2
ContinuationIndentWidth: 2
Cpp11BracedListStyle: true
DerivePointerAlignment: false
DisableFormat: false
ExperimentalAutoDetectBinPacking: false
FixNamespaceComments: true
ForEachMacros:
- foreach
- Q_FOREACH
- BOOST_FOREACH
IncludeBlocks: Preserve
IncludeCategories:
- Regex: '^"(llvm|llvm-c|clang|clang-c)/'
Priority: 2
- Regex: '^(<|"(gtest|gmock|isl|json)/)'
Priority: 3
- Regex: '.*'
Priority: 1
IncludeIsMainRegex: '(Test)?$'
IndentCaseLabels: false
IndentPPDirectives: None
IndentWidth: 2
IndentWrappedFunctionNames: false
KeepEmptyLinesAtTheStartOfBlocks: true
MacroBlockBegin: ''
MacroBlockEnd: ''
MaxEmptyLinesToKeep: 1
NamespaceIndentation: None
PenaltyBreakAssignment: 2
PenaltyBreakBeforeFirstCallParameter: 19
PenaltyBreakComment: 300
PenaltyBreakFirstLessLess: 120
PenaltyBreakString: 1000
PenaltyBreakTemplateDeclaration: 10
PenaltyExcessCharacter: 1000000
PenaltyReturnTypeOnItsOwnLine: 200
PointerAlignment: Left
ReflowComments: true
SortIncludes: true
SortUsingDeclarations: true
SpaceAfterCStyleCast: false
SpaceAfterTemplateKeyword: false
SpaceBeforeAssignmentOperators: true
SpaceBeforeCpp11BracedList: true
SpaceBeforeCtorInitializerColon: true
SpaceBeforeInheritanceColon: true
SpaceBeforeParens: ControlStatements
SpaceBeforeRangeBasedForLoopColon: true
SpaceInEmptyParentheses: false
SpacesBeforeTrailingComments: 1
SpacesInAngles: false
SpacesInContainerLiterals: true
SpacesInCStyleCastParentheses: false
SpacesInParentheses: false
SpacesInSquareBrackets: false
Standard: Cpp11
TabWidth: 8
UseTab: Never
...

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name: CI
on:
# allows us to run workflows manually
workflow_dispatch:
pull_request:
branches:
- develop
- master
push:
branches:
- develop
- master
env:
MPI_DIR: /usr
HDF5_ROOT: /usr
OMP_NUM_THREADS: 2
COVERALLS_PARALLEL: true
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
jobs:
main:
runs-on: ubuntu-16.04
strategy:
matrix:
python-version: [3.8]
mpi: [n, y]
omp: [n, y]
dagmc: [n]
event: [n]
vectfit: [n]
include:
- python-version: 3.6
omp: n
mpi: n
- python-version: 3.7
omp: n
mpi: n
- dagmc: y
python-version: 3.8
mpi: y
omp: y
- event: y
python-version: 3.8
omp: y
mpi: n
- vectfit: y
python-version: 3.8
omp: n
mpi: y
name: 'Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, event=${{ matrix.event }}
vectfit=${{ matrix.vectfit }})'
env:
MPI: ${{ matrix.mpi }}
PHDF5: ${{ matrix.mpi }}
OMP: ${{ matrix.omp }}
DAGMC: ${{ matrix.dagmc }}
EVENT: ${{ matrix.event }}
VECTFIT: ${{ matrix.vectfit }}
steps:
-
uses: actions/checkout@v2
-
name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
-
name: Environment Variables
run: |
echo "DAGMC_ROOT=$HOME/DAGMC"
echo "OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml" >> $GITHUB_ENV
echo "OPENMC_ENDF_DATA=$HOME/endf-b-vii.1" >> $GITHUB_ENV
-
name: Apt dependencies
shell: bash
run: |
sudo apt -y update
sudo apt install -y mpich \
libmpich-dev \
libhdf5-serial-dev \
libhdf5-mpich-dev \
libeigen3-dev
-
name: install
shell: bash
run: |
echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
$GITHUB_WORKSPACE/tools/ci/gha-install.sh
-
name: before
shell: bash
run: $GITHUB_WORKSPACE/tools/ci/gha-before-script.sh
-
name: test
shell: bash
run: $GITHUB_WORKSPACE/tools/ci/gha-script.sh
-
name: after_success
shell: bash
run: |
cpp-coveralls -i src -i include --exclude-pattern "/usr/*" --dump cpp_cov.json
coveralls --merge=cpp_cov.json --service=github
finish:
needs: main
runs-on: ubuntu-latest
steps:
- name: Coveralls Finished
uses: coverallsapp/github-action@master
with:
github-token: ${{ secrets.github_token }}
parallel-finished: true

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name: dockerhub-publish-latest-dagmc
on:
push:
branches: master
jobs:
main:
runs-on: ubuntu-latest
steps:
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:latest-dagmc
build-args: |
include_dagmc=true
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

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name: dockerhub-publish-develop
on:
push:
branches: develop
jobs:
main:
runs-on: ubuntu-latest
steps:
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:develop
build-args: |
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

38
.github/workflows/dockerhub-publish-release-dagmc.yml vendored Normal file
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name: dockerhub-publish-release-dagmc
on:
push:
tags: 'v*.*.*'
jobs:
main:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Set env
run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:${{ env.RELEASE_VERSION }}-dagmc
build-args: |
include_dagmc=true
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

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name: dockerhub-publish-release
on:
push:
tags: 'v*.*.*'
jobs:
main:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Set env
run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:${{ env.RELEASE_VERSION }}
build-args: |
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

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name: dockerhub-publish-latest
on:
push:
branches: master
jobs:
main:
runs-on: ubuntu-latest
steps:
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:latest
build-args: |
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

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.github/workflows/name: dockerhub-publish-develop-dagmc.yml vendored Normal file
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name: dockerhub-publish-develop-dagmc
on:
push:
branches: develop
jobs:
main:
runs-on: ubuntu-latest
steps:
-
name: Set up QEMU
uses: docker/setup-qemu-action@v1
-
name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
-
name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_TOKEN }}
-
name: Build and push
id: docker_build
uses: docker/build-push-action@v2
with:
push: true
tags: openmc/openmc:develop-dagmc
build-args: |
include_dagmc=true
compile_cores=2
-
name: Image digest
run: echo ${{ steps.docker_build.outputs.digest }}

73
.gitignore vendored
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@ -9,14 +9,16 @@
*.pyc
# Python distribution
.settings/
dist/
openmc.egg-info/
# Inputs generated from Python API
examples/python/**/*.xml
examples/**/*.xml
# emacs backups
# emacs and vim backups
*~
*.swp
# OpenMC statepoints
*.binary
@ -24,6 +26,8 @@ examples/python/**/*.xml
# Documentation builds
docs/build
docs/source/_images/*.pdf
docs/source/_images/*.aux
docs/source/pythonapi/generated/
# Source build
build
@ -37,10 +41,10 @@ src/xml-fortran/xmlreader
# Test results error file
results_error.dat
inputs_error.dat
results_test.dat
# Test build files
tests/build/
tests/ctestscript.run
# Test
.pytest_cache/
# HDF5 files
*.h5
@ -52,11 +56,21 @@ src/bin/
src/cmake_install.cmake
src/install_manifest.txt
# Data downloaded from NNDC
data/nndc
# Nuclear data
scripts/nndc
scripts/nndc_hdf5
scripts/wmp
scripts/JEFF32-ACE-*.zip
scripts/TSLs.tar.gz
scripts/jeff-3.2
scripts/jeff-3.2-hdf5
scripts/*.tar.*
scripts/G4EMLOW*/
#Images
# Images
*.ppm
*.voxel
*.vti
# PyCharm project configuration files
.idea
@ -65,9 +79,40 @@ data/nndc
# IPython notebook checkpoints
.ipynb_checkpoints
# Multi-group cross section IPython Notebook
docs/source/pythonapi/examples/*.xml
docs/source/pythonapi/examples/*.png
docs/source/pythonapi/examples/*.xls
docs/source/pythonapi/examples/mgxs
docs/source/pythonapi/examples/tracks
# Jupyter notebooks
examples/jupyter/*.xml
examples/jupyter/*.png
examples/jupyter/*.xls
examples/jupyter/*.ace
examples/jupyter/*.endf
examples/jupyter/mgxs
examples/jupyter/tracks
examples/jupyter/fission-rates
examples/jupyter/plots
# Cython files
*.c
*.html
*.so
.cache/
.tox/
.python-version
.coverage
htmlcov
# macOS
*.DS_Store
# Dynamic Library
*.dylib
*.lib
*.dll
# Visual Studio CMake project
.vs/
out/
CMakeSettings.json
# Visual Studio Code configuration files
.vscode/

18
.gitmodules vendored
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@ -1,3 +1,15 @@
[submodule "src/xml/fox"]
path = src/xml/fox
url = https://github.com/mit-crpg/fox.git
[submodule "vendor/pugixml"]
path = vendor/pugixml
url = https://github.com/zeux/pugixml.git
[submodule "vendor/gsl-lite"]
path = vendor/gsl-lite
url = https://github.com/martinmoene/gsl-lite.git
[submodule "vendor/xtensor"]
path = vendor/xtensor
url = https://github.com/xtensor-stack/xtensor.git
[submodule "vendor/xtl"]
path = vendor/xtl
url = https://github.com/xtensor-stack/xtl.git
[submodule "vendor/fmt"]
path = vendor/fmt
url = https://github.com/fmtlib/fmt.git

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.travis.yml
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@ -1,54 +0,0 @@
sudo: false
language: python
python:
- "2.7"
- "3.4"
addons:
apt:
packages:
- gfortran
- g++
cache:
directories:
- $HOME/mpich_install
- $HOME/hdf5_install
- $HOME/phdf5_install
before_install:
# ============== Handle Python third-party packages ==============
- if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then
wget https://repo.continuum.io/miniconda/Miniconda-latest-Linux-x86_64.sh -O miniconda.sh;
else
wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
fi
- bash miniconda.sh -b -p $HOME/miniconda
- export PATH="$HOME/miniconda/bin:$PATH"
- hash -r
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
- conda info -a
- conda create -q -n test-environment python=$TRAVIS_PYTHON_VERSION numpy scipy h5py pandas
- source activate test-environment
# Install GCC, MPICH, HDF5, PHDF5
- ./tests/travis_install.sh
- export FC=gfortran
- export MPI_DIR=$HOME/mpich_install
- export PHDF5_DIR=$HOME/phdf5_install
- export HDF5_DIR=$HOME/hdf5_install
install: true
before_script:
- cd data
- git clone --branch=master git://github.com/bhermanmit/nndc_xs nndc_xs
- cat nndc_xs/nndc.tar.gza* | tar xzvf -
- rm -rf nndc_xs
- export CROSS_SECTIONS=$PWD/nndc/cross_sections.xml
- cd ..
script:
- cd tests
- export OMP_NUM_THREADS=3
- ./travis.sh
- cd ..

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CMakeLists.txt
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@ -1,57 +1,70 @@
cmake_minimum_required(VERSION 2.8 FATAL_ERROR)
project(openmc Fortran)
cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
project(openmc C CXX)
# Set version numbers
set(OPENMC_VERSION_MAJOR 0)
set(OPENMC_VERSION_MINOR 12)
set(OPENMC_VERSION_RELEASE 1)
set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
# Setup output directories
set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
set(CMAKE_Fortran_MODULE_DIRECTORY ${CMAKE_BINARY_DIR}/include)
# Set module path
set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
# Make sure Fortran module directory is included when building
include_directories(${CMAKE_BINARY_DIR}/include)
#===============================================================================
# Architecture specific definitions
#===============================================================================
if (${UNIX})
add_definitions(-DUNIX)
# Allow user to specify <project>_ROOT variables
if (NOT (CMAKE_VERSION VERSION_LESS 3.12))
cmake_policy(SET CMP0074 NEW)
endif()
#===============================================================================
# Command line options
#===============================================================================
option(openmp "Enable shared-memory parallelism with OpenMP" OFF)
option(openmp "Enable shared-memory parallelism with OpenMP" ON)
option(profile "Compile with profiling flags" OFF)
option(debug "Compile with debug flags" OFF)
option(optimize "Turn on all compiler optimization flags" OFF)
option(coverage "Compile with coverage analysis flags" OFF)
option(mpif08 "Use Fortran 2008 MPI interface" OFF)
# Maximum number of nested coordinates levels
set(maxcoord 10 CACHE STRING "Maximum number of nested coordinate levels")
add_definitions(-DMAX_COORD=${maxcoord})
option(dagmc "Enable support for DAGMC (CAD) geometry" OFF)
#===============================================================================
# MPI for distributed-memory parallelism
#===============================================================================
set(MPI_ENABLED FALSE)
if($ENV{FC} MATCHES "mpi[^/]*$")
message("-- Detected MPI wrapper: $ENV{FC}")
add_definitions(-DMPI)
if(${CMAKE_CXX_COMPILER} MATCHES "(mpi[^/]*|CC)$")
message(STATUS "Detected MPI wrapper: ${CMAKE_CXX_COMPILER}")
set(MPI_ENABLED TRUE)
endif()
# Check for Fortran 2008 MPI interface
if(MPI_ENABLED AND mpif08)
message("-- Using Fortran 2008 MPI bindings")
add_definitions(-DMPIF08)
#===============================================================================
# DAGMC Geometry Support - need DAGMC/MOAB
#===============================================================================
if(dagmc)
find_package(DAGMC REQUIRED PATH_SUFFIXES lib/cmake)
endif()
#===============================================================================
# Check for submodules perhaps already on system
#===============================================================================
# If not found, we just pull appropriate versions from github and build them.
find_package(fmt QUIET)
if(fmt_FOUND)
message(STATUS "Found fmt: ${fmt_DIR} (version ${fmt_VERSION})")
else()
message(STATUS "Did not find fmt, will use submodule instead")
endif()
find_package(pugixml QUIET)
if(pugixml_FOUND)
message(STATUS "Found pugixml: ${pugixml_DIR}")
else()
message(STATUS "Did not find pugixml, will use submodule instead")
endif()
#===============================================================================
@ -63,348 +76,386 @@ endif()
# this, we check for the environment variable HDF5_ROOT and if it exists, use it
# to check whether its a parallel version.
if(DEFINED ENV{HDF5_ROOT} AND EXISTS $ENV{HDF5_ROOT}/bin/h5pcc)
set(HDF5_PREFER_PARALLEL TRUE)
else()
set(HDF5_PREFER_PARALLEL FALSE)
if(NOT DEFINED HDF5_PREFER_PARALLEL)
if(DEFINED ENV{HDF5_ROOT} AND EXISTS $ENV{HDF5_ROOT}/bin/h5pcc)
set(HDF5_PREFER_PARALLEL TRUE)
else()
set(HDF5_PREFER_PARALLEL FALSE)
endif()
endif()
find_package(HDF5 COMPONENTS Fortran_HL)
if(NOT HDF5_FOUND)
message(FATAL_ERROR "Could not find HDF5")
endif()
find_package(HDF5 REQUIRED COMPONENTS C HL)
if(HDF5_IS_PARALLEL)
if(NOT MPI_ENABLED)
message(FATAL_ERROR "Parallel HDF5 must be used with MPI.")
endif()
add_definitions(-DPHDF5)
message("-- Using parallel HDF5")
message(STATUS "Using parallel HDF5")
endif()
# Version 1.12 of HDF5 deprecates the H5Oget_info_by_idx() interface.
# Thus, we give these flags to allow usage of the old interface in newer
# versions of HDF5.
if(NOT (${HDF5_VERSION} VERSION_LESS 1.12.0))
list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
endif()
#===============================================================================
# Set compile/link flags based on which compiler is being used
#===============================================================================
# Support for Fortran in FindOpenMP was added in CMake 3.1. To support lower
# versions, we manually add the flags. However, at some point in time, the
# manual logic can be removed in favor of the block below
# Skip for Visual Studio which has its own configurations through GUI
if(NOT MSVC)
#if(NOT (CMAKE_VERSION VERSION_LESS 3.1))
# if(openmp)
# find_package(OpenMP)
# if(OPENMP_FOUND)
# list(APPEND f90flags ${OpenMP_Fortran_FLAGS})
# list(APPEND ldflags ${OpenMP_Fortran_FLAGS})
# endif()
# endif()
#endif()
if(CMAKE_Fortran_COMPILER_ID STREQUAL GNU)
# Make sure version is sufficient
execute_process(COMMAND ${CMAKE_Fortran_COMPILER} -dumpversion
OUTPUT_VARIABLE GCC_VERSION)
if(GCC_VERSION VERSION_LESS 4.6)
message(FATAL_ERROR "gfortran version must be 4.6 or higher")
if(openmp)
# Requires CMake 3.1+
find_package(OpenMP)
if(OPENMP_FOUND)
list(APPEND cxxflags ${OpenMP_CXX_FLAGS})
list(APPEND ldflags ${OpenMP_CXX_FLAGS})
endif()
endif()
# GNU Fortran compiler options
list(APPEND f90flags -cpp -std=f2008 -fbacktrace)
if(debug)
if(NOT (GCC_VERSION VERSION_LESS 4.7))
list(APPEND f90flags -Wall)
set(CMAKE_POSITION_INDEPENDENT_CODE ON)
list(APPEND cxxflags -O2)
if(debug)
list(REMOVE_ITEM cxxflags -O2)
list(APPEND cxxflags -g -O0)
endif()
if(profile)
list(APPEND cxxflags -g -fno-omit-frame-pointer)
endif()
if(optimize)
list(REMOVE_ITEM cxxflags -O2)
list(APPEND cxxflags -O3)
endif()
if(coverage)
list(APPEND cxxflags --coverage)
list(APPEND ldflags --coverage)
endif()
# Show flags being used
message(STATUS "OpenMC C++ flags: ${cxxflags}")
message(STATUS "OpenMC Linker flags: ${ldflags}")
endif()
#===============================================================================
# Update git submodules as needed
#===============================================================================
find_package(Git)
if(GIT_FOUND AND EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/.git")
option(GIT_SUBMODULE "Check submodules during build" ON)
if(GIT_SUBMODULE)
message(STATUS "Submodule update")
execute_process(COMMAND ${GIT_EXECUTABLE} submodule update --init --recursive
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
RESULT_VARIABLE GIT_SUBMOD_RESULT)
if(NOT GIT_SUBMOD_RESULT EQUAL 0)
message(FATAL_ERROR "git submodule update --init failed with \
${GIT_SUBMOD_RESULT}, please checkout submodules")
endif()
list(APPEND f90flags -g -pedantic -fbounds-check
-ffpe-trap=invalid,overflow,underflow)
list(APPEND ldflags -g)
endif()
if(profile)
list(APPEND f90flags -pg)
list(APPEND ldflags -pg)
endif()
if(optimize)
list(APPEND f90flags -O3)
endif()
if(openmp)
list(APPEND f90flags -fopenmp)
list(APPEND ldflags -fopenmp)
endif()
if(coverage)
list(APPEND f90flags -coverage)
list(APPEND ldflags -coverage)
endif()
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL Intel)
# Intel Fortran compiler options
list(APPEND f90flags -fpp -std08 -assume byterecl -traceback)
if(debug)
list(APPEND f90flags -g -warn -ftrapuv -fp-stack-check
"-check all" -fpe0)
list(APPEND ldflags -g)
endif()
if(profile)
list(APPEND f90flags -pg)
list(APPEND ldflags -pg)
endif()
if(optimize)
list(APPEND f90flags -O3)
endif()
if(openmp)
list(APPEND f90flags -openmp)
list(APPEND ldflags -openmp)
endif()
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL PGI)
# PGI Fortran compiler options
list(APPEND f90flags -Mpreprocess -Minform=inform -traceback)
add_definitions(-DNO_F2008)
if(debug)
list(APPEND f90flags -g -Mbounds -Mchkptr -Mchkstk)
list(APPEND ldflags -g)
endif()
if(profile)
list(APPEND f90flags -pg)
list(APPEND ldflags -pg)
endif()
if(optimize)
list(APPEND f90flags -fast -Mipa)
endif()
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL XL)
# IBM XL compiler options
list(APPEND f90flags -O2)
add_definitions(-DNO_F2008)
if(debug)
list(APPEND f90flags -g -C -qflag=i:i -u)
list(APPEND ldflags -g)
endif()
if(profile)
list(APPEND f90flags -p)
list(APPEND ldflags -p)
endif()
if(optimize)
list(APPEND f90flags -O3)
endif()
if(openmp)
list(APPEND f90flags -qsmp=omp)
list(APPEND ldflags -qsmp=omp)
endif()
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL Cray)
# Cray Fortran compiler options
list(APPEND f90flags -e Z -m 0)
if(debug)
list(APPEND f90flags -g -R abcnsp -O0)
list(APPEND ldflags -g)
endif()
endif()
# Check to see if submodules exist (by checking one)
if(NOT EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/vendor/pugixml/CMakeLists.txt")
message(FATAL_ERROR "The git submodules were not downloaded! GIT_SUBMODULE was \
turned off or failed. Please update submodules and try again.")
endif()
#===============================================================================
# git SHA1 hash
# pugixml library
#===============================================================================
execute_process(COMMAND git rev-parse HEAD
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
RESULT_VARIABLE GIT_SHA1_SUCCESS
OUTPUT_VARIABLE GIT_SHA1
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(GIT_SHA1_SUCCESS EQUAL 0)
add_definitions(-DGIT_SHA1="${GIT_SHA1}")
if (NOT pugixml_FOUND)
add_subdirectory(vendor/pugixml)
set_target_properties(pugixml PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
endif()
#===============================================================================
# FoX Fortran XML Library
# {fmt} library
#===============================================================================
# Only initialize git submodules if it is not there. User is responsible
# for future updates of fox xml submodule.
if(NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/src/xml/fox/.git)
if(NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/.git)
message("-- Cloning FoX XML git repository...")
execute_process(COMMAND git clone https://github.com/mit-crpg/fox.git src/xml/fox
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
execute_process(COMMAND git checkout bdc852f4f43d969fb1b179cba79295c1e095a455
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/src/xml/fox)
else()
message("-- Initializing/Updating FoX XML submodule...")
execute_process(COMMAND git submodule init
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
execute_process(COMMAND git submodule update
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})
endif()
if (NOT fmt_FOUND)
set(FMT_INSTALL ON CACHE BOOL "Generate the install target.")
add_subdirectory(vendor/fmt)
endif()
add_subdirectory(src/xml/fox)
#===============================================================================
# Build OpenMC executable
# xtensor header-only library
#===============================================================================
set(program "openmc")
file(GLOB source src/*.F90 src/xml/openmc_fox.F90)
add_executable(${program} ${source})
# CMake 3.13+ will complain about policy CMP0079 unless it is set explicitly
if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
cmake_policy(SET CMP0079 NEW)
endif()
# target_include_directories was added in CMake 2.8.11 and is the recommended
# way to set include directories. For lesser versions, we revert to set_property
if(CMAKE_VERSION VERSION_LESS 2.8.11)
include_directories(${HDF5_INCLUDE_DIRS})
add_subdirectory(vendor/xtl)
set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
add_subdirectory(vendor/xtensor)
#===============================================================================
# GSL header-only library
#===============================================================================
set(GSL_LITE_OPT_INSTALL_COMPAT_HEADER ON CACHE BOOL
"Install MS-GSL compatibility header <gsl/gsl>")
add_subdirectory(vendor/gsl-lite)
# Make sure contract violations throw exceptions
target_compile_definitions(gsl-lite-v1 INTERFACE GSL_THROW_ON_CONTRACT_VIOLATION)
target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
#===============================================================================
# RPATH information
#===============================================================================
# Provide install directory variables as defined by GNU coding standards
include(GNUInstallDirs)
# This block of code ensures that dynamic libraries can be found via the RPATH
# whether the executable is the original one from the build directory or the
# installed one in CMAKE_INSTALL_PREFIX. Ref:
# https://gitlab.kitware.com/cmake/community/wikis/doc/cmake/RPATH-handling
# use, i.e. don't skip the full RPATH for the build tree
set(CMAKE_SKIP_BUILD_RPATH FALSE)
# when building, don't use the install RPATH already
# (but later on when installing)
set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE)
# add the automatically determined parts of the RPATH
# which point to directories outside the build tree to the install RPATH
set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
# the RPATH to be used when installing, but only if it's not a system directory
list(FIND CMAKE_PLATFORM_IMPLICIT_LINK_DIRECTORIES "${CMAKE_INSTALL_FULL_LIBDIR}" isSystemDir)
if("${isSystemDir}" STREQUAL "-1")
set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_FULL_LIBDIR}")
endif()
#===============================================================================
# faddeeva library
#===============================================================================
add_library(faddeeva STATIC vendor/faddeeva/Faddeeva.cc)
target_include_directories(faddeeva
PUBLIC
$<INSTALL_INTERFACE:include/faddeeva>
$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/vendor/faddeeva>
)
target_compile_options(faddeeva PRIVATE ${cxxflags})
#===============================================================================
# libopenmc
#===============================================================================
list(APPEND libopenmc_SOURCES
src/bank.cpp
src/boundary_condition.cpp
src/bremsstrahlung.cpp
src/dagmc.cpp
src/cell.cpp
src/cmfd_solver.cpp
src/cross_sections.cpp
src/distribution.cpp
src/distribution_angle.cpp
src/distribution_energy.cpp
src/distribution_multi.cpp
src/distribution_spatial.cpp
src/eigenvalue.cpp
src/endf.cpp
src/error.cpp
src/event.cpp
src/initialize.cpp
src/finalize.cpp
src/geometry.cpp
src/geometry_aux.cpp
src/hdf5_interface.cpp
src/lattice.cpp
src/material.cpp
src/math_functions.cpp
src/mesh.cpp
src/message_passing.cpp
src/mgxs.cpp
src/mgxs_interface.cpp
src/nuclide.cpp
src/output.cpp
src/particle.cpp
src/particle_restart.cpp
src/photon.cpp
src/physics.cpp
src/physics_common.cpp
src/physics_mg.cpp
src/plot.cpp
src/position.cpp
src/progress_bar.cpp
src/random_lcg.cpp
src/reaction.cpp
src/reaction_product.cpp
src/scattdata.cpp
src/secondary_correlated.cpp
src/secondary_kalbach.cpp
src/secondary_nbody.cpp
src/secondary_thermal.cpp
src/secondary_uncorrelated.cpp
src/settings.cpp
src/simulation.cpp
src/source.cpp
src/state_point.cpp
src/string_utils.cpp
src/summary.cpp
src/surface.cpp
src/tallies/derivative.cpp
src/tallies/filter.cpp
src/tallies/filter_azimuthal.cpp
src/tallies/filter_cellborn.cpp
src/tallies/filter_cellfrom.cpp
src/tallies/filter_cell.cpp
src/tallies/filter_cell_instance.cpp
src/tallies/filter_delayedgroup.cpp
src/tallies/filter_distribcell.cpp
src/tallies/filter_energyfunc.cpp
src/tallies/filter_energy.cpp
src/tallies/filter_legendre.cpp
src/tallies/filter_material.cpp
src/tallies/filter_mesh.cpp
src/tallies/filter_meshsurface.cpp
src/tallies/filter_mu.cpp
src/tallies/filter_particle.cpp
src/tallies/filter_polar.cpp
src/tallies/filter_sph_harm.cpp
src/tallies/filter_sptl_legendre.cpp
src/tallies/filter_surface.cpp
src/tallies/filter_universe.cpp
src/tallies/filter_zernike.cpp
src/tallies/tally.cpp
src/tallies/tally_scoring.cpp
src/tallies/trigger.cpp
src/timer.cpp
src/thermal.cpp
src/track_output.cpp
src/urr.cpp
src/volume_calc.cpp
src/wmp.cpp
src/xml_interface.cpp
src/xsdata.cpp)
# For Visual Studio compilers
if(MSVC)
# Use static library (otherwise explicit symbol portings are needed)
add_library(libopenmc STATIC ${libopenmc_SOURCES})
# To use the shared HDF5 libraries on Windows, the H5_BUILT_AS_DYNAMIC_LIB
# compile definition must be specified.
target_compile_definitions(libopenmc PRIVATE -DH5_BUILT_AS_DYNAMIC_LIB)
else()
target_include_directories(${program} PUBLIC ${HDF5_INCLUDE_DIRS})
add_library(libopenmc SHARED ${libopenmc_SOURCES})
endif()
# target_compile_options was added in CMake 2.8.12 and is the recommended way to
# set compile flags. Note that this sets the COMPILE_OPTIONS property (also
# available only in 2.8.12+) rather than the COMPILE_FLAGS property, which is
# deprecated. The former can handle lists whereas the latter cannot.
if(CMAKE_VERSION VERSION_LESS 4.8.12)
string(REPLACE ";" " " f90flags "${f90flags}")
set_property(TARGET ${program} PROPERTY COMPILE_FLAGS "${f90flags}")
else()
target_compile_options(${program} PUBLIC ${f90flags})
# Avoid vs error lnk1149 :output filename matches input filename
if(NOT MSVC)
set_target_properties(libopenmc PROPERTIES OUTPUT_NAME openmc)
endif()
# Add HDF5 library directories to link line with -L
foreach(LIBDIR ${HDF5_LIBRARY_DIRS})
list(APPEND ldflags "-L${LIBDIR}")
endforeach()
target_include_directories(libopenmc
PUBLIC
$<INSTALL_INTERFACE:include>
$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
${HDF5_INCLUDE_DIRS}
)
# Set compile flags
target_compile_options(libopenmc PRIVATE ${cxxflags})
# Add include directory for configured version file
target_include_directories(libopenmc PRIVATE ${CMAKE_BINARY_DIR}/include)
if (HDF5_IS_PARALLEL)
target_compile_definitions(libopenmc PRIVATE -DPHDF5)
endif()
if (MPI_ENABLED)
target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
endif()
# Set git SHA1 hash as a compile definition
if(GIT_FOUND)
execute_process(COMMAND ${GIT_EXECUTABLE} rev-parse HEAD
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
RESULT_VARIABLE GIT_SHA1_SUCCESS
OUTPUT_VARIABLE GIT_SHA1
ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
if(GIT_SHA1_SUCCESS EQUAL 0)
target_compile_definitions(libopenmc PRIVATE -DGIT_SHA1="${GIT_SHA1}")
endif()
endif()
# target_link_libraries treats any arguments starting with - but not -l as
# linker flags. Thus, we can pass both linker flags and libraries together.
target_link_libraries(${program} ${ldflags} ${HDF5_LIBRARIES} fox_dom)
target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
pugixml faddeeva xtensor gsl-lite-v1 fmt::fmt)
if(dagmc)
target_compile_definitions(libopenmc PRIVATE DAGMC)
target_link_libraries(libopenmc dagmc-shared uwuw-shared)
endif()
#===============================================================================
# openmc executable
#===============================================================================
add_executable(openmc src/main.cpp)
target_compile_options(openmc PRIVATE ${cxxflags})
target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
target_link_libraries(openmc libopenmc)
# Ensure C++14 standard is used. Starting with CMake 3.8, another way this could
# be done is using the cxx_std_14 compiler feature.
set_target_properties(
openmc libopenmc faddeeva
PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
#===============================================================================
# Python package
#===============================================================================
add_custom_command(TARGET libopenmc POST_BUILD
COMMAND ${CMAKE_COMMAND} -E copy
$<TARGET_FILE:libopenmc>
${CMAKE_CURRENT_SOURCE_DIR}/openmc/lib/$<TARGET_FILE_NAME:libopenmc>
COMMENT "Copying libopenmc to Python module directory")
#===============================================================================
# Install executable, scripts, manpage, license
#===============================================================================
install(TARGETS ${program} RUNTIME DESTINATION bin)
install(DIRECTORY src/relaxng DESTINATION share/openmc)
install(FILES man/man1/openmc.1 DESTINATION share/man/man1)
install(FILES LICENSE DESTINATION "share/doc/${program}/copyright")
configure_file(cmake/OpenMCConfig.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake" @ONLY)
configure_file(cmake/OpenMCConfigVersion.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake" @ONLY)
find_package(PythonInterp)
if(PYTHONINTERP_FOUND)
install(CODE "execute_process(
COMMAND ${PYTHON_EXECUTABLE} setup.py install
--prefix=${CMAKE_INSTALL_PREFIX}
WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})")
endif()
set(INSTALL_CONFIGDIR ${CMAKE_INSTALL_LIBDIR}/cmake/OpenMC)
install(TARGETS openmc libopenmc faddeeva
EXPORT openmc-targets
RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR}
)
install(EXPORT openmc-targets
FILE OpenMCTargets.cmake
NAMESPACE OpenMC::
DESTINATION ${INSTALL_CONFIGDIR})
#===============================================================================
# Regression tests
#===============================================================================
install(DIRECTORY src/relaxng DESTINATION ${CMAKE_INSTALL_DATADIR}/openmc)
install(FILES
"${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
"${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
DESTINATION ${INSTALL_CONFIGDIR})
install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
install(FILES "${CMAKE_BINARY_DIR}/include/openmc/version.h" DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/openmc)
# This allows for dashboard configuration
include(CTest)
# Get a list of all the tests to run
file(GLOB_RECURSE TESTS ${CMAKE_CURRENT_SOURCE_DIR}/tests/test_*.py)
# Check for MEM_CHECK and COVERAGE variables
if (DEFINED ENV{MEM_CHECK})
set(MEM_CHECK $ENV{MEM_CHECK})
else(DEFINED ENV{MEM_CHECK})
set(MEM_CHECK FALSE)
endif(DEFINED ENV{MEM_CHECK})
if (DEFINED ENV{COVERAGE})
set(COVERAGE $ENV{COVERAGE})
else(DEFINED ENV{COVERAGE})
set(COVERAGE FALSE)
endif(DEFINED ENV{COVERAGE})
# Loop through all the tests
foreach(test ${TESTS})
# Get test information
get_filename_component(TEST_NAME ${test} NAME)
get_filename_component(TEST_PATH ${test} PATH)
# Check for running standard tests (no valgrind, no gcov)
if(NOT ${MEM_CHECK} AND NOT ${COVERAGE})
# Check serial/parallel
if (${MPI_ENABLED})
# Preform a parallel test
add_test(NAME ${TEST_NAME}
WORKING_DIRECTORY ${TEST_PATH}
COMMAND ${PYTHON_EXECUTABLE} ${TEST_NAME} --exe $<TARGET_FILE:openmc>
--mpi_exec $ENV{MPI_DIR}/bin/mpiexec)
else(${MPI_ENABLED})
# Perform a serial test
add_test(NAME ${TEST_NAME}
WORKING_DIRECTORY ${TEST_PATH}
COMMAND ${PYTHON_EXECUTABLE} ${TEST_NAME} --exe $<TARGET_FILE:openmc>)
endif(${MPI_ENABLED})
# Handle special case for valgrind and gcov (run openmc directly, no python)
else(NOT ${MEM_CHECK} AND NOT ${COVERAGE})
# If a plot test is encountered, run with "-p"
if (${test} MATCHES "test_plot")
# Perform serial valgrind and coverage test with plot flag
add_test(NAME ${TEST_NAME}
WORKING_DIRECTORY ${TEST_PATH}
COMMAND $<TARGET_FILE:openmc> -p ${TEST_PATH})
elseif(${test} MATCHES "test_filter_distribcell")
# Add each case for distribcell tests
add_test(NAME ${TEST_NAME}_case-1
WORKING_DIRECTORY ${TEST_PATH}/case-1
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH}/case-1)
add_test(NAME ${TEST_NAME}_case-2
WORKING_DIRECTORY ${TEST_PATH}/case-2
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH}/case-2)
add_test(NAME ${TEST_NAME}_case-3
WORKING_DIRECTORY ${TEST_PATH}/case-3
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH}/case-3)
add_test(NAME ${TEST_NAME}_case-4
WORKING_DIRECTORY ${TEST_PATH}/case-4
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH}/case-4)
# If a restart test is encounted, need to run with -r and restart file(s)
elseif(${test} MATCHES "restart")
# Handle restart tests separately
if(${test} MATCHES "test_statepoint_restart")
set(RESTART_FILE statepoint.07.h5)
elseif(${test} MATCHES "test_sourcepoint_restart")
set(RESTART_FILE statepoint.07.h5 source.07.h5)
elseif(${test} MATCHES "test_particle_restart_eigval")
set(RESTART_FILE particle_9_555.h5)
elseif(${test} MATCHES "test_particle_restart_fixed")
set(RESTART_FILE particle_7_928.h5)
else(${test} MATCHES "test_statepoint_restart")
message(FATAL_ERROR "Restart test ${test} not recognized")
endif(${test} MATCHES "test_statepoint_restart")
# Perform serial valgrind and coverage test
add_test(NAME ${TEST_NAME}
WORKING_DIRECTORY ${TEST_PATH}
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH})
# Perform serial valgrind and coverage restart test
add_test(NAME ${TEST_NAME}_restart
WORKING_DIRECTORY ${TEST_PATH}
COMMAND $<TARGET_FILE:openmc> -r ${RESTART_FILE} ${TEST_PATH})
# Set test dependency
set_tests_properties(${TEST_NAME}_restart PROPERTIES DEPENDS ${TEST_NAME})
# Handle standard tests for valgrind and gcov
else(${test} MATCHES "test_plot")
# Perform serial valgrind and coverage test
add_test(NAME ${TEST_NAME}
WORKING_DIRECTORY ${TEST_PATH}
COMMAND $<TARGET_FILE:openmc> ${TEST_PATH})
endif(${test} MATCHES "test_plot")
endif(NOT ${MEM_CHECK} AND NOT ${COVERAGE})
endforeach(test)
# Copy headers for vendored dependencies (note that all except faddeeva are handled
# separately since they are managed by CMake)
install(DIRECTORY vendor/faddeeva DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})

48
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@ -0,0 +1,48 @@
# Data interface
openmc/data/ @paulromano
# Python bindings to C/C++ API
openmc/lib/ @paulromano
# Depletion
openmc/deplete/ @drewejohnson
tests/regression_tests/deplete/ @drewejohnson
tests/unit_tests/test_deplete_*.py @drewejohnson
# MG-related functionality
openmc/mgxs_library.py @nelsonag
src/mgxs.cpp @nelsonag
src/mgxs_interface.cpp @nelsonag
src/physics_mg.cpp @nelsonag
src/scattdata.cpp @nelsonag
src/xsdata.cpp @nelsonag
# CMFD
openmc/cmfd.py @shikhar413
src/cmfd_solver.cpp @shikhar413
# DAGMC
src/dagmc.cpp @pshriwise
tests/regression_tests/dagmc/ @pshriwise
tests/unit_tests/dagmc/ @pshriwise
# Photon transport
openmc/data/BREMX.DAT @amandalund
openmc/data/compton_profiles.h5 @amandalund
openmc/data/photon.py @amandalund
src/photon.cpp @amandalund
src/bremsstrahlung.cpp @amandalund
tests/regression_tests/photon_production/ @amandalund
tests/regression_tests/photon_source/ @amandalund
# RCP and TRISOs
openmc/model/triso.py @amandalund
tests/regression_tests/triso/ @amandalund
tests/unit_tests/test_model_triso.py @amandalund
# Geometry plotting
src/plot.cpp @pshriwise
openmc/lib/plot.py @pshriwise
# Resonance covariance
openmc/data/resonance_covariance.py @icmeyer

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# Contributor Covenant Code of Conduct
## Our Pledge
In the interest of fostering an open and welcoming environment, we as
contributors and maintainers pledge to making participation in our project and
our community a harassment-free experience for everyone, regardless of age, body
size, disability, ethnicity, sex characteristics, gender identity and expression,
level of experience, education, socio-economic status, nationality, personal
appearance, race, religion, or sexual identity and orientation.
## Our Standards
Examples of behavior that contributes to creating a positive environment
include:
* Using welcoming and inclusive language
* Being respectful of differing viewpoints and experiences
* Gracefully accepting constructive criticism
* Focusing on what is best for the community
* Showing empathy towards other community members
Examples of unacceptable behavior by participants include:
* The use of sexualized language or imagery and unwelcome sexual attention or
advances
* Trolling, insulting/derogatory comments, and personal or political attacks
* Public or private harassment
* Publishing others' private information, such as a physical or electronic
address, without explicit permission
* Other conduct which could reasonably be considered inappropriate in a
professional setting
## Our Responsibilities
Project maintainers are responsible for clarifying the standards of acceptable
behavior and are expected to take appropriate and fair corrective action in
response to any instances of unacceptable behavior.
Project maintainers have the right and responsibility to remove, edit, or
reject comments, commits, code, wiki edits, issues, and other contributions
that are not aligned to this Code of Conduct, or to ban temporarily or
permanently any contributor for other behaviors that they deem inappropriate,
threatening, offensive, or harmful.
## Scope
This Code of Conduct applies both within project spaces and in public spaces
when an individual is representing the project or its community. Examples of
representing a project or community include using an official project e-mail
address, posting via an official social media account, or acting as an appointed
representative at an online or offline event. Representation of a project may be
further defined and clarified by project maintainers.
## Enforcement
Instances of abusive, harassing, or otherwise unacceptable behavior may be
reported by contacting the project team at openmc@anl.gov. All complaints will
be reviewed and investigated and will result in a response that is deemed
necessary and appropriate to the circumstances. The project team is obligated to
maintain confidentiality with regard to the reporter of an incident. However,
note that some project team members may have a legal obligation to report
certain forms of harassment because of their affiliation (for example, staff and
faculty at universities in the United States). Further details of specific
enforcement policies may be posted separately.
Project maintainers who do not follow or enforce the Code of Conduct in good
faith may face temporary or permanent repercussions as determined by other
members of the project's leadership.
## Attribution
This Code of Conduct is adapted from the [Contributor Covenant][homepage], version 1.4,
available at https://www.contributor-covenant.org/version/1/4/code-of-conduct.html
[homepage]: https://www.contributor-covenant.org

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# Contributing to OpenMC
Welcome, and thank you for considering contributing to OpenMC! We look forward
to welcoming new members to the community and will do our best to help you get
up to speed.
## Code of Conduct
Participants in the OpenMC project are expected to follow and uphold the [Code
of Conduct](CODE_OF_CONDUCT.md). Please report any unacceptable behavior to
openmc@anl.gov.
## Resources
- [GitHub Repository](https://github.com/openmc-dev/openmc)
- [Documentation](http://openmc.readthedocs.io/en/latest)
- [User's Mailing List](openmc-users@googlegroups.com)
- [Developer's Mailing List](openmc-dev@googlegroups.com)
- [Slack Community](https://openmc.slack.com/signup) (If you don't see your
domain listed, contact openmc@anl.gov)
## How to Report Bugs
OpenMC is hosted on GitHub and all bugs are reported and tracked through the
[Issues](https://github.com/openmc-dev/openmc/issues) listed on GitHub.
## How to Suggest Enhancements
We welcome suggestions for new features or enhancements to the code and
encourage you to submit them as Issues on GitHub. However, it's important to
recognize that our development team is relatively small and does not have
unlimited time to devote to new feature suggestions. If you are interested in
working on the feature you are requesting, indicate so in the issue and the
development team will be happy to discuss it.
## How to Submit Changes
All changes to OpenMC happen through pull requests. For a full overview of the
process, see the developer's guide section on [Contributing to
OpenMC](http://openmc.readthedocs.io/en/latest/devguide/contributing.html).
## Code Style
Before you run off to make changes to the code, please have a look at our [style
guide](http://openmc.readthedocs.io/en/latest/devguide/styleguide.html), which
is used when reviewing new contributions.

25
CTestConfig.cmake
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@ -1,25 +0,0 @@
## This file should be placed in the root directory of your project.
## Then modify the CMakeLists.txt file in the root directory of your
## project to incorporate the testing dashboard.
## # The following are required to uses Dart and the Cdash dashboard
## ENABLE_TESTING()
## INCLUDE(CTest)
# Generic information about CDASH site
set(CTEST_PROJECT_NAME "OpenMC")
set(CTEST_NIGHTLY_START_TIME "01:00:00 UTC")
set(CTEST_DROP_METHOD "http")
set(CTEST_DROP_SITE "openmc.mit.edu")
set(CTEST_DROP_LOCATION "/cdash/submit.php?project=OpenMC")
set(CTEST_DROP_SITE_CDASH TRUE)
# Set file size larger to see more output
set(CTEST_CUSTOM_MAXIMUM_FAILED_TEST_OUTPUT_SIZE "20000")
set(CTEST_CUSTOM_MAXIMUM_PASSED_TEST_OUTPUT_SIZE "20000")
# User/password to CDASH site
# Please contact Nick Horelik <nhorelik@mit.edu> or
# Bryan Herman <bherman@mit.edu> if you want to push
# test suite information to our CDASH site.
set(CTEST_DROP_SITE_USER "")
set(CTEST_DROP_SITE_PASSWORD "")

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Dockerfile Normal file
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# To build with OpenMC
# docker build -t openmc .
# To build with OpenMC and DAGMC enabled
# docker build -t openmc_dagmc --build-arg include_dagmc=true .
# To make use of multiple cores during the compile stages of the docker build
# docker build -t openmc_dagmc --build-arg compile_cores=8 .
FROM ubuntu:latest
# By default this Dockerfile builds OpenMC without dagmc
ARG include_dagmc=false
# By default one core is used to compile
ARG compile_cores=1
# Setup environment variables for Docker image
ENV CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx \
PATH=/opt/openmc/bin:/opt/NJOY2016/build:$PATH \
LD_LIBRARY_PATH=/opt/openmc/lib:$LD_LIBRARY_PATH \
OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml \
OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
DEBIAN_FRONTEND=noninteractive
# Install dependencies from Debian package manager
RUN apt-get update -y && \
apt-get upgrade -y && \
apt-get install -y \
python3-pip python-is-python3 wget git gfortran g++ cmake \
mpich libmpich-dev libhdf5-serial-dev libhdf5-mpich-dev \
imagemagick && \
apt-get autoremove
# Update system-provided pip
RUN pip3 install --upgrade pip
# Clone and install NJOY2016
RUN git clone https://github.com/njoy/NJOY2016.git /opt/NJOY2016 && \
cd /opt/NJOY2016 && \
mkdir build && cd build && \
cmake -Dstatic=on .. && make 2>/dev/null && make install
# Clone and install OpenMC without DAGMC
RUN if [ "$include_dagmc" = "false" ] ; \
then git clone --recurse-submodules https://github.com/openmc-dev/openmc.git /opt/openmc ; \
cd /opt/openmc ; \
mkdir -p build ; \
cd build ; \
cmake -Doptimize=on \
-DHDF5_PREFER_PARALLEL=on .. ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
cd .. ; \
pip install -e .[test] ; \
fi
# install addition packages required for DAGMC
RUN if [ "$include_dagmc" = "true" ] ; \
then apt-get --yes install libeigen3-dev ; \
apt-get --yes install libnetcdf-dev ; \
apt-get --yes install libtbb-dev ; \
apt-get --yes install libglfw3-dev ; \
fi
# Clone and install Embree
RUN if [ "$include_dagmc" = "true" ] ; \
then git clone --single-branch --branch master https://github.com/embree/embree.git ; \
cd embree ; \
mkdir build ; \
cd build ; \
cmake .. -DCMAKE_INSTALL_PREFIX=.. \
-DEMBREE_ISPC_SUPPORT=OFF ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
fi
# Clone and install MOAB
RUN if [ "$include_dagmc" = "true" ] ; \
then pip install --upgrade numpy cython ; \
mkdir MOAB ; \
cd MOAB ; \
mkdir build ; \
git clone --single-branch --branch master https://bitbucket.org/fathomteam/moab.git ; \
cd build ; \
cmake ../moab -DENABLE_HDF5=ON \
-DENABLE_NETCDF=ON \
-DBUILD_SHARED_LIBS=OFF \
-DENABLE_FORTRAN=OFF \
-DENABLE_BLASLAPACK=OFF ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
rm -rf * ; \
cmake ../moab -DBUILD_SHARED_LIBS=ON \
-DENABLE_HDF5=ON \
-DENABLE_PYMOAB=ON \
-DENABLE_FORTRAN=OFF \
-DENABLE_BLASLAPACK=OFF ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
fi
# Clone and install Double-Down
RUN if [ "$include_dagmc" = "true" ] ; \
then git clone --single-branch --branch main https://github.com/pshriwise/double-down.git ; \
cd double-down ; \
mkdir build ; \
cd build ; \
cmake .. -DCMAKE_INSTALL_PREFIX=.. \
-DMOAB_DIR=/usr/local \
-DEMBREE_DIR=/embree ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
fi
# Clone and install DAGMC
RUN if [ "$include_dagmc" = "true" ] ; \
then mkdir DAGMC ; \
cd DAGMC ; \
git clone --single-branch --branch develop https://github.com/svalinn/DAGMC.git ; \
mkdir build ; \
cd build ; \
cmake ../DAGMC -DBUILD_TALLY=ON \
-DCMAKE_INSTALL_PREFIX=/DAGMC/ \
-DMOAB_DIR=/usr/local \
-DBUILD_STATIC_LIBS=OFF \
-DBUILD_STATIC_EXE=OFF ; \
make -j"$compile_cores" install ; \
rm -rf /DAGMC/DAGMC /DAGMC/build ; \
fi
# Clone and install OpenMC with DAGMC
RUN if [ "$include_dagmc" = "true" ] ; \
then git clone --recurse-submodules https://github.com/openmc-dev/openmc.git /opt/openmc ; \
cd /opt/openmc ; \
mkdir build ; \
cd build ; \
cmake -Doptimize=on \
-Ddagmc=ON \
-DDAGMC_DIR=/DAGMC/ \
-DHDF5_PREFER_PARALLEL=on .. ; \
make -j"$compile_cores" ; \
make -j"$compile_cores" install ; \
cd .. ; \
pip install -e .[test] ; \
fi
# Download cross sections (NNDC and WMP) and ENDF data needed by test suite
RUN /opt/openmc/tools/ci/download-xs.sh

2
LICENSE
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@ -1,4 +1,4 @@
Copyright (c) 2011-2015 Massachusetts Institute of Technology
Copyright (c) 2011-2020 Massachusetts Institute of Technology and OpenMC contributors
Permission is hereby granted, free of charge, to any person obtaining a copy of
this software and associated documentation files (the "Software"), to deal in

54
MANIFEST.in Normal file
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include CMakeLists.txt
include LICENSE
include CODE_OF_CONDUCT.md
include CODEOWNERS
include CONTRIBUTING.md
include Dockerfile
include schemas.xml
include pyproject.toml
include pytest.ini
include docs/source/_templates/layout.html
include docs/sphinxext/LICENSE
global-include *.cmake
global-include *.cmake.in
global-include *.rst
recursive-include docs *.css
recursive-include docs *.dia
recursive-include docs *.png
recursive-include docs *.py
recursive-include docs *.svg
recursive-include docs *.tex
recursive-include docs *.txt
recursive-include docs Makefile
recursive-include examples *.h5
recursive-include examples *.ipynb
recursive-include examples *.png
recursive-include examples *.py
recursive-include examples *.xml
recursive-include include *.h
recursive-include man *.1
recursive-inlcude openmc *.pyx
recursive-include openmc *.c
recursive-include src *.c
recursive-include src *.cc
recursive-include src *.cpp
recursive-include src *.h
recursive-include src *.hpp
recursive-include src *.rnc
recursive-include src *.rng
recursive-include tests *.dat
recursive-include tests *.h5
recursive-inlcude tests *.h5m
recursive-include tests *.py
recursive-include tests *.xml
recursive-include vendor CMakeLists.txt
recursive-include vendor *.cc
recursive-include vendor *.cpp
recursive-include vendor *.h
recursive-include vendor *.hh
recursive-include vendor *.hpp
recursive-include vendor *.pc.in
recursive-include vendor *.natvis
include vendor/gsl-lite/include/gsl/gsl
prune docs/build
prune docs/source/pythonapi/generated/

14
Makefile
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all:
mkdir -p build
cmake -H. -Bbuild
make -s -C build
clean:
make -s -C build clean
distclean:
rm -fr build
test:
make -s -C build test
install:
make -s -C build install
.PHONY: all clean distclean test install

56
README.md Normal file
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# OpenMC Monte Carlo Particle Transport Code
[![License](https://img.shields.io/github/license/openmc-dev/openmc.svg)](http://openmc.readthedocs.io/en/latest/license.html)
[![GitHub Actions build status (Linux)](https://github.com/openmc-dev/openmc/workflows/CI/badge.svg?branch=develop)](https://github.com/openmc-dev/openmc/actions?query=workflow%3ACI)
[![Code Coverage](https://coveralls.io/repos/github/openmc-dev/openmc/badge.svg?branch=develop)](https://coveralls.io/github/openmc-dev/openmc?branch=develop)
[![dockerhub-publish-develop-dagmc](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop-dagmc/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop-dagmc)
[![dockerhub-publish-develop](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop)
The OpenMC project aims to provide a fully-featured Monte Carlo particle
transport code based on modern methods. It is a constructive solid geometry,
continuous-energy transport code that uses HDF5 format cross sections. The
project started under the Computational Reactor Physics Group at MIT.
Complete documentation on the usage of OpenMC is hosted on Read the Docs (both
for the [latest release](http://openmc.readthedocs.io/en/stable/) and
[developmental](http://openmc.readthedocs.io/en/latest/) version). If you are
interested in the project, or would like to help and contribute, please get in touch on the OpenMC [discussion forum](https://openmc.discourse.group/).
## Installation
Detailed [installation
instructions](http://openmc.readthedocs.io/en/stable/usersguide/install.html)
can be found in the User's Guide.
## Citing
If you use OpenMC in your research, please consider giving proper attribution by
citing the following publication:
- Paul K. Romano, Nicholas E. Horelik, Bryan R. Herman, Adam G. Nelson, Benoit
Forget, and Kord Smith, "[OpenMC: A State-of-the-Art Monte Carlo Code for
Research and Development](https://doi.org/10.1016/j.anucene.2014.07.048),"
*Ann. Nucl. Energy*, **82**, 90--97 (2015).
## Troubleshooting
If you run into problems compiling, installing, or running OpenMC, first check
the [Troubleshooting section](http://openmc.readthedocs.io/en/stable/usersguide/troubleshoot.html) in
the User's Guide. If you are not able to find a solution to your problem there,
please post to the [discussion forum](https://openmc.discourse.group/).
## Reporting Bugs
OpenMC is hosted on GitHub and all bugs are reported and tracked through the
[Issues](https://github.com/openmc-dev/openmc/issues) feature on GitHub. However,
GitHub Issues should not be used for common troubleshooting purposes. If you are
having trouble installing the code or getting your model to run properly, you
should first send a message to the User's Group mailing list. If it turns out
your issue really is a bug in the code, an issue will then be created on
GitHub. If you want to request that a feature be added to the code, you may
create an Issue on github.
## License
OpenMC is distributed under the MIT/X
[license](http://openmc.readthedocs.io/en/stable/license.html).

399
cmake/Modules/FindHDF5.cmake
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@ -1,399 +0,0 @@
#.rst:
# FindHDF5
# --------
#
# Find HDF5, a library for reading and writing self describing array data.
#
#
#
# This module invokes the HDF5 wrapper compiler that should be installed
# alongside HDF5. Depending upon the HDF5 Configuration, the wrapper
# compiler is called either h5cc or h5pcc. If this succeeds, the module
# will then call the compiler with the -show argument to see what flags
# are used when compiling an HDF5 client application.
#
# The module will optionally accept the COMPONENTS argument. If no
# COMPONENTS are specified, then the find module will default to finding
# only the HDF5 C library. If one or more COMPONENTS are specified, the
# module will attempt to find the language bindings for the specified
# components. The only valid components are C, CXX, Fortran, HL, and
# Fortran_HL. If the COMPONENTS argument is not given, the module will
# attempt to find only the C bindings.
#
# On UNIX systems, this module will read the variable
# HDF5_USE_STATIC_LIBRARIES to determine whether or not to prefer a
# static link to a dynamic link for HDF5 and all of it's dependencies.
# To use this feature, make sure that the HDF5_USE_STATIC_LIBRARIES
# variable is set before the call to find_package.
#
# To provide the module with a hint about where to find your HDF5
# installation, you can set the environment variable HDF5_ROOT. The
# Find module will then look in this path when searching for HDF5
# executables, paths, and libraries.
#
# In addition to finding the includes and libraries required to compile
# an HDF5 client application, this module also makes an effort to find
# tools that come with the HDF5 distribution that may be useful for
# regression testing.
#
# This module will define the following variables:
#
# ::
#
# HDF5_INCLUDE_DIRS - Location of the hdf5 includes
# HDF5_INCLUDE_DIR - Location of the hdf5 includes (deprecated)
# HDF5_DEFINITIONS - Required compiler definitions for HDF5
# HDF5_C_LIBRARIES - Required libraries for the HDF5 C bindings.
# HDF5_CXX_LIBRARIES - Required libraries for the HDF5 C++ bindings
# HDF5_Fortran_LIBRARIES - Required libraries for the HDF5 Fortran bindings
# HDF5_HL_LIBRARIES - Required libraries for the HDF5 high level API
# HDF5_Fortran_HL_LIBRARIES - Required libraries for the high level Fortran
# bindings.
# HDF5_LIBRARIES - Required libraries for all requested bindings
# HDF5_FOUND - true if HDF5 was found on the system
# HDF5_VERSION - HDF5 version in format Major.Minor.Release
# HDF5_LIBRARY_DIRS - the full set of library directories
# HDF5_IS_PARALLEL - Whether or not HDF5 was found with parallel IO support
# HDF5_C_COMPILER_EXECUTABLE - the path to the HDF5 C wrapper compiler
# HDF5_CXX_COMPILER_EXECUTABLE - the path to the HDF5 C++ wrapper compiler
# HDF5_Fortran_COMPILER_EXECUTABLE - the path to the HDF5 Fortran wrapper compiler
# HDF5_DIFF_EXECUTABLE - the path to the HDF5 dataset comparison tool
#=============================================================================
# Copyright 2015 Axel Huebl, Helmholtz-Zentrum Dresden - Rossendorf
# Copyright 2009 Kitware, Inc.
#
# Distributed under the OSI-approved BSD License (the "License");
# see accompanying file Copyright.txt for details.
#
# This software is distributed WITHOUT ANY WARRANTY; without even the
# implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
# See the License for more information.
#=============================================================================
# (To distribute this file outside of CMake, substitute the full
# License text for the above reference.)
# This module is maintained by Will Dicharry <wdicharry@stellarscience.com>.
include(SelectLibraryConfigurations)
include(FindPackageHandleStandardArgs)
# List of the valid HDF5 components
set( HDF5_VALID_COMPONENTS
C
CXX
Fortran
HL
Fortran_HL
)
# Validate the list of find components.
if( NOT HDF5_FIND_COMPONENTS )
set( HDF5_LANGUAGE_BINDINGS "C" )
else()
# add the extra specified components, ensuring that they are valid.
foreach( component ${HDF5_FIND_COMPONENTS} )
list( FIND HDF5_VALID_COMPONENTS ${component} component_location )
if( ${component_location} EQUAL -1 )
message( FATAL_ERROR
"\"${component}\" is not a valid HDF5 component." )
else()
list( APPEND HDF5_LANGUAGE_BINDINGS ${component} )
endif()
endforeach()
endif()
# Determine whether to search for serial or parallel executable first
if(HDF5_PREFER_PARALLEL)
set(HDF5_C_COMPILER_NAMES h5pcc h5cc)
set(HDF5_CXX_COMPILER_NAMES h5pc++ h5c++)
set(HDF5_Fortran_COMPILER_NAMES h5pfc h5fc)
else()
set(HDF5_C_COMPILER_NAMES h5cc h5pcc)
set(HDF5_CXX_COMPILER_NAMES h5c++ h5pc++)
set(HDF5_Fortran_COMPILER_NAMES h5fc h5pfc)
endif()
# try to find the HDF5 wrapper compilers
find_program( HDF5_C_COMPILER_EXECUTABLE
NAMES ${HDF5_C_COMPILER_NAMES}
HINTS ENV HDF5_ROOT
PATH_SUFFIXES bin Bin
DOC "HDF5 Wrapper compiler. Used only to detect HDF5 compile flags." )
mark_as_advanced( HDF5_C_COMPILER_EXECUTABLE )
find_program( HDF5_CXX_COMPILER_EXECUTABLE
NAMES ${HDF5_CXX_COMPILER_NAMES}
HINTS ENV HDF5_ROOT
PATH_SUFFIXES bin Bin
DOC "HDF5 C++ Wrapper compiler. Used only to detect HDF5 compile flags." )
mark_as_advanced( HDF5_CXX_COMPILER_EXECUTABLE )
find_program( HDF5_Fortran_COMPILER_EXECUTABLE
NAMES ${HDF5_Fortran_COMPILER_NAMES}
HINTS ENV HDF5_ROOT
PATH_SUFFIXES bin Bin
DOC "HDF5 Fortran Wrapper compiler. Used only to detect HDF5 compile flags." )
mark_as_advanced( HDF5_Fortran_COMPILER_EXECUTABLE )
unset(HDF5_C_COMPILER_NAMES)
unset(HDF5_CXX_COMPILER_NAMES)
unset(HDF5_Fortran_COMPILER_NAMES)
find_program( HDF5_DIFF_EXECUTABLE
NAMES h5diff
HINTS ENV HDF5_ROOT
PATH_SUFFIXES bin Bin
DOC "HDF5 file differencing tool." )
mark_as_advanced( HDF5_DIFF_EXECUTABLE )
# Invoke the HDF5 wrapper compiler. The compiler return value is stored to the
# return_value argument, the text output is stored to the output variable.
macro( _HDF5_invoke_compiler language output return_value )
if( HDF5_${language}_COMPILER_EXECUTABLE )
exec_program( ${HDF5_${language}_COMPILER_EXECUTABLE}
ARGS -show
OUTPUT_VARIABLE ${output}
RETURN_VALUE ${return_value}
)
if( ${${return_value}} EQUAL 0 )
# do nothing
else()
message( STATUS
"Unable to determine HDF5 ${language} flags from HDF5 wrapper." )
endif()
endif()
endmacro()
# Parse a compile line for definitions, includes, library paths, and libraries.
macro( _HDF5_parse_compile_line
compile_line_var
include_paths
definitions
library_paths
libraries )
# Match the include paths
string( REGEX MATCHALL "-I([^\" ]+)" include_path_flags
"${${compile_line_var}}"
)
foreach( IPATH ${include_path_flags} )
string( REGEX REPLACE "^-I" "" IPATH ${IPATH} )
string( REPLACE "//" "/" IPATH ${IPATH} )
list( APPEND ${include_paths} ${IPATH} )
endforeach()
# Match the definitions
string( REGEX MATCHALL "-D[^ ]*" definition_flags "${${compile_line_var}}" )
foreach( DEF ${definition_flags} )
list( APPEND ${definitions} ${DEF} )
endforeach()
# Match the library paths
string( REGEX MATCHALL "-L([^\" ]+|\"[^\"]+\")" library_path_flags
"${${compile_line_var}}"
)
foreach( LPATH ${library_path_flags} )
string( REGEX REPLACE "^-L" "" LPATH ${LPATH} )
string( REPLACE "//" "/" LPATH ${LPATH} )
list( APPEND ${library_paths} ${LPATH} )
endforeach()
# now search for the library names specified in the compile line (match -l...)
# match only -l's preceded by a space or comma
# this is to exclude directory names like xxx-linux/
string( REGEX MATCHALL "[, ]-l([^\", ]+)" library_name_flags
"${${compile_line_var}}" )
# strip the -l from all of the library flags and add to the search list
foreach( LIB ${library_name_flags} )
string( REGEX REPLACE "^[, ]-l" "" LIB ${LIB} )
list( APPEND ${libraries} ${LIB} )
endforeach()
endmacro()
# Try to find HDF5 using an installed hdf5-config.cmake
if( NOT HDF5_FOUND )
find_package( HDF5 QUIET NO_MODULE )
if( HDF5_FOUND )
set( HDF5_INCLUDE_DIRS ${HDF5_INCLUDE_DIR} )
set( HDF5_LIBRARIES )
set( HDF5_C_TARGET hdf5 )
set( HDF5_CXX_TARGET hdf5_cpp )
set( HDF5_HL_TARGET hdf5_hl )
set( HDF5_Fortran_TARGET hdf5_fortran )
set( HDF5_Fortran_HL_TARGET hdf5_hl_fortran )
foreach( _component ${HDF5_LANGUAGE_BINDINGS} )
list( FIND HDF5_VALID_COMPONENTS ${_component} _component_location )
get_target_property( _comp_location ${HDF5_${_component}_TARGET} LOCATION )
if( _comp_location )
set( HDF5_${_component}_LIBRARY ${_comp_location} CACHE PATH
"HDF5 ${_component} library" )
mark_as_advanced( HDF5_${_component}_LIBRARY )
list( APPEND HDF5_LIBRARIES ${HDF5_${_component}_LIBRARY} )
endif()
endforeach()
endif()
endif()
if( NOT HDF5_FOUND )
_HDF5_invoke_compiler( C HDF5_C_COMPILE_LINE HDF5_C_RETURN_VALUE )
_HDF5_invoke_compiler( CXX HDF5_CXX_COMPILE_LINE HDF5_CXX_RETURN_VALUE )
_HDF5_invoke_compiler( Fortran HDF5_Fortran_COMPILE_LINE HDF5_Fortran_RETURN_VALUE )
set(HDF5_HL_COMPILE_LINE ${HDF5_C_COMPILE_LINE})
set(HDF5_Fortran_HL_COMPILE_LINE ${HDF5_Fortran_COMPILE_LINE})
# seed the initial lists of libraries to find with items we know we need
set( HDF5_C_LIBRARY_NAMES_INIT hdf5 )
set( HDF5_HL_LIBRARY_NAMES_INIT hdf5_hl ${HDF5_C_LIBRARY_NAMES_INIT} )
set( HDF5_CXX_LIBRARY_NAMES_INIT hdf5_cpp ${HDF5_C_LIBRARY_NAMES_INIT} )
set( HDF5_Fortran_LIBRARY_NAMES_INIT hdf5_fortran
${HDF5_C_LIBRARY_NAMES_INIT} )
set( HDF5_Fortran_HL_LIBRARY_NAMES_INIT hdf5hl_fortran hdf5_hl
${HDF5_Fortran_LIBRARY_NAMES_INIT} )
foreach( LANGUAGE ${HDF5_LANGUAGE_BINDINGS} )
if( HDF5_${LANGUAGE}_COMPILE_LINE )
_HDF5_parse_compile_line( HDF5_${LANGUAGE}_COMPILE_LINE
HDF5_${LANGUAGE}_INCLUDE_FLAGS
HDF5_${LANGUAGE}_DEFINITIONS
HDF5_${LANGUAGE}_LIBRARY_DIRS
HDF5_${LANGUAGE}_LIBRARY_NAMES
)
# take a guess that the includes may be in the 'include' sibling
# directory of a library directory.
foreach( dir ${HDF5_${LANGUAGE}_LIBRARY_DIRS} )
list( APPEND HDF5_${LANGUAGE}_INCLUDE_FLAGS ${dir}/../include )
endforeach()
endif()
# set the definitions for the language bindings.
list( APPEND HDF5_DEFINITIONS ${HDF5_${LANGUAGE}_DEFINITIONS} )
# find the HDF5 include directories
if(${LANGUAGE} MATCHES "Fortran")
set(HDF5_INCLUDE_FILENAME hdf5.mod)
else()
set(HDF5_INCLUDE_FILENAME hdf5.h)
endif()
find_path( HDF5_${LANGUAGE}_INCLUDE_DIR ${HDF5_INCLUDE_FILENAME}
HINTS
${HDF5_${LANGUAGE}_INCLUDE_FLAGS}
ENV
HDF5_ROOT
PATHS
$ENV{HOME}/.local/include
PATH_SUFFIXES
include
Include
)
mark_as_advanced( HDF5_${LANGUAGE}_INCLUDE_DIR )
list( APPEND HDF5_INCLUDE_DIRS ${HDF5_${LANGUAGE}_INCLUDE_DIR} )
# find the HDF5 libraries
foreach( LIB ${HDF5_${LANGUAGE}_LIBRARY_NAMES_INIT} )
if( UNIX AND HDF5_USE_STATIC_LIBRARIES )
# According to bug 1643 on the CMake bug tracker, this is the
# preferred method for searching for a static library.
# See http://www.cmake.org/Bug/view.php?id=1643. We search
# first for the full static library name, but fall back to a
# generic search on the name if the static search fails.
set( THIS_LIBRARY_SEARCH_DEBUG lib${LIB}d.a ${LIB}d )
set( THIS_LIBRARY_SEARCH_RELEASE lib${LIB}.a ${LIB} )
else()
set( THIS_LIBRARY_SEARCH_DEBUG ${LIB}d )
set( THIS_LIBRARY_SEARCH_RELEASE ${LIB} )
endif()
find_library( HDF5_${LIB}_LIBRARY_DEBUG
NAMES ${THIS_LIBRARY_SEARCH_DEBUG}
HINTS ${HDF5_${LANGUAGE}_LIBRARY_DIRS}
ENV HDF5_ROOT
PATH_SUFFIXES lib Lib )
find_library( HDF5_${LIB}_LIBRARY_RELEASE
NAMES ${THIS_LIBRARY_SEARCH_RELEASE}
HINTS ${HDF5_${LANGUAGE}_LIBRARY_DIRS}
ENV HDF5_ROOT
PATH_SUFFIXES lib Lib )
select_library_configurations( HDF5_${LIB} )
list(APPEND HDF5_${LANGUAGE}_LIBRARIES ${HDF5_${LIB}_LIBRARY})
endforeach()
list( APPEND HDF5_LIBRARY_DIRS ${HDF5_${LANGUAGE}_LIBRARY_DIRS} )
# When the wrapper lists a library with -l, e.g. -lz, simply use it as
# is. If find_library is called for these libraries, you end up with
# local libraries that will not be suitable when cross-compiling for the
# Intel Xeon Phi.
foreach(LIBNAME ${HDF5_${LANGUAGE}_LIBRARY_NAMES})
list(APPEND HDF5_${LANGUAGE}_LIBRARIES "-l${LIBNAME}")
endforeach()
# Append the libraries for this language binding to the list of all
# required libraries.
list(APPEND HDF5_LIBRARIES ${HDF5_${LANGUAGE}_LIBRARIES})
endforeach()
# We may have picked up some duplicates in various lists during the above
# process for the language bindings (both the C and C++ bindings depend on
# libz for example). Remove the duplicates. It appears that the default
# CMake behavior is to remove duplicates from the end of a list. However,
# for link lines, this is incorrect since unresolved symbols are searched
# for down the link line. Therefore, we reverse the list, remove the
# duplicates, and then reverse it again to get the duplicates removed from
# the beginning.
macro( _remove_duplicates_from_beginning _list_name )
list( REVERSE ${_list_name} )
list( REMOVE_DUPLICATES ${_list_name} )
list( REVERSE ${_list_name} )
endmacro()
if( HDF5_INCLUDE_DIRS )
_remove_duplicates_from_beginning( HDF5_INCLUDE_DIRS )
endif()
if( HDF5_LIBRARY_DIRS )
_remove_duplicates_from_beginning( HDF5_LIBRARY_DIRS )
endif()
# If the HDF5 include directory was found, open H5pubconf.h to determine if
# HDF5 was compiled with parallel IO support
set( HDF5_IS_PARALLEL FALSE )
set( HDF5_VERSION "" )
foreach( _dir IN LISTS HDF5_INCLUDE_DIRS )
foreach(_hdr "${_dir}/H5pubconf.h" "${_dir}/H5pubconf-64.h" "${_dir}/H5pubconf-32.h")
if( EXISTS "${_hdr}" )
file( STRINGS "${_hdr}"
HDF5_HAVE_PARALLEL_DEFINE
REGEX "HAVE_PARALLEL 1" )
if( HDF5_HAVE_PARALLEL_DEFINE )
set( HDF5_IS_PARALLEL TRUE )
endif()
unset(HDF5_HAVE_PARALLEL_DEFINE)
file( STRINGS "${_hdr}"
HDF5_VERSION_DEFINE
REGEX "^[ \t]*#[ \t]*define[ \t]+H5_VERSION[ \t]+" )
if( "${HDF5_VERSION_DEFINE}" MATCHES
"H5_VERSION[ \t]+\"([0-9]+\\.[0-9]+\\.[0-9]+).*\"" )
set( HDF5_VERSION "${CMAKE_MATCH_1}" )
endif()
unset(HDF5_VERSION_DEFINE)
endif()
endforeach()
endforeach()
set( HDF5_IS_PARALLEL ${HDF5_IS_PARALLEL} CACHE BOOL
"HDF5 library compiled with parallel IO support" )
mark_as_advanced( HDF5_IS_PARALLEL )
# For backwards compatibility we set HDF5_INCLUDE_DIR to the value of
# HDF5_INCLUDE_DIRS
if( HDF5_INCLUDE_DIRS )
set( HDF5_INCLUDE_DIR "${HDF5_INCLUDE_DIRS}" )
endif()
endif()
find_package_handle_standard_args( HDF5
REQUIRED_VARS HDF5_LIBRARIES HDF5_INCLUDE_DIRS
VERSION_VAR HDF5_VERSION
)

14
cmake/OpenMCConfig.cmake.in Normal file
View file

@ -0,0 +1,14 @@
get_filename_component(OpenMC_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" DIRECTORY)
find_package(fmt REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../fmt)
find_package(gsl-lite REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../gsl-lite)
find_package(pugixml REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../pugixml)
find_package(xtl REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtl)
find_package(xtensor REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtensor)
if(@DAGMC_FOUND@)
find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
endif()
if(NOT TARGET OpenMC::libopenmc)
include("${OpenMC_CMAKE_DIR}/OpenMCTargets.cmake")
endif()

11
cmake/OpenMCConfigVersion.cmake.in Normal file
View file

@ -0,0 +1,11 @@
set(PACKAGE_VERSION "@OPENMC_VERSION@")
# Check whether the requested PACKAGE_FIND_VERSION is compatible
if("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}")
set(PACKAGE_VERSION_COMPATIBLE FALSE)
else()
set(PACKAGE_VERSION_COMPATIBLE TRUE)
if ("${PACKAGE_VERSION}" VERSION_EQUAL "${PACKAGE_FIND_VERSION}")
set(PACKAGE_VERSION_EXACT TRUE)
endif()
endif()

2076
data/cross_sections.xml
View file

File diff suppressed because it is too large Load diff

2066
data/cross_sections_ascii.xml
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File diff suppressed because it is too large Load diff

870
data/cross_sections_nndc.xml
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@ -1,870 +0,0 @@
<?xml version="1.0" ?>
<cross_sections>
<filetype>ascii</filetype>
<ace_table alias="H-1.71c" awr="0.999167" location="1" name="1001.71c" path="293.6K/H_001_293.6K.ace" temperature="2.53e-08" zaid="1001"/>
<ace_table alias="H-2.71c" awr="1.9968" location="1" name="1002.71c" path="293.6K/H_002_293.6K.ace" temperature="2.53e-08" zaid="1002"/>
<ace_table alias="H-3.71c" awr="2.989596" location="1" name="1003.71c" path="293.6K/H_003_293.6K.ace" temperature="2.53e-08" zaid="1003"/>
<ace_table alias="He-3.71c" awr="2.989032" location="1" name="2003.71c" path="293.6K/He_003_293.6K.ace" temperature="2.53e-08" zaid="2003"/>
<ace_table alias="He-4.71c" awr="3.968219" location="1" name="2004.71c" path="293.6K/He_004_293.6K.ace" temperature="2.53e-08" zaid="2004"/>
<ace_table alias="Li-6.71c" awr="5.9634" location="1" name="3006.71c" path="293.6K/Li_006_293.6K.ace" temperature="2.53e-08" zaid="3006"/>
<ace_table alias="Li-7.71c" awr="6.955732" location="1" name="3007.71c" path="293.6K/Li_007_293.6K.ace" temperature="2.53e-08" zaid="3007"/>
<ace_table alias="Be-7.71c" awr="6.9545" location="1" name="4007.71c" path="293.6K/Be_007_293.6K.ace" temperature="2.53e-08" zaid="4007"/>
<ace_table alias="Be-9.71c" awr="8.93478" location="1" name="4009.71c" path="293.6K/Be_009_293.6K.ace" temperature="2.53e-08" zaid="4009"/>
<ace_table alias="B-10.71c" awr="9.926921" location="1" name="5010.71c" path="293.6K/B_010_293.6K.ace" temperature="2.53e-08" zaid="5010"/>
<ace_table alias="B-11.71c" awr="10.9147" location="1" name="5011.71c" path="293.6K/B_011_293.6K.ace" temperature="2.53e-08" zaid="5011"/>
<ace_table alias="C-Nat.71c" awr="11.898" location="1" name="6000.71c" path="293.6K/C_000_293.6K.ace" temperature="2.53e-08" zaid="6000"/>
<ace_table alias="N-14.71c" awr="13.88278" location="1" name="7014.71c" path="293.6K/N_014_293.6K.ace" temperature="2.53e-08" zaid="7014"/>
<ace_table alias="N-15.71c" awr="14.871" location="1" name="7015.71c" path="293.6K/N_015_293.6K.ace" temperature="2.53e-08" zaid="7015"/>
<ace_table alias="O-16.71c" awr="15.85751" location="1" name="8016.71c" path="293.6K/O_016_293.6K.ace" temperature="2.53e-08" zaid="8016"/>
<ace_table alias="O-17.71c" awr="16.8531" location="1" name="8017.71c" path="293.6K/O_017_293.6K.ace" temperature="2.53e-08" zaid="8017"/>
<ace_table alias="F-19.71c" awr="18.835" location="1" name="9019.71c" path="293.6K/F_019_293.6K.ace" temperature="2.53e-08" zaid="9019"/>
<ace_table alias="Na-22.71c" awr="21.8055" location="1" name="11022.71c" path="293.6K/Na_022_293.6K.ace" temperature="2.53e-08" zaid="11022"/>
<ace_table alias="Na-23.71c" awr="22.792" location="1" name="11023.71c" path="293.6K/Na_023_293.6K.ace" temperature="2.53e-08" zaid="11023"/>
<ace_table alias="Mg-24.71c" awr="23.779" location="1" name="12024.71c" path="293.6K/Mg_024_293.6K.ace" temperature="2.53e-08" zaid="12024"/>
<ace_table alias="Mg-25.71c" awr="24.7712" location="1" name="12025.71c" path="293.6K/Mg_025_293.6K.ace" temperature="2.53e-08" zaid="12025"/>
<ace_table alias="Mg-26.71c" awr="25.7594" location="1" name="12026.71c" path="293.6K/Mg_026_293.6K.ace" temperature="2.53e-08" zaid="12026"/>
<ace_table alias="Al-27.71c" awr="26.74975" location="1" name="13027.71c" path="293.6K/Al_027_293.6K.ace" temperature="2.53e-08" zaid="13027"/>
<ace_table alias="Si-28.71c" awr="27.737" location="1" name="14028.71c" path="293.6K/Si_028_293.6K.ace" temperature="2.53e-08" zaid="14028"/>
<ace_table alias="Si-29.71c" awr="28.728" location="1" name="14029.71c" path="293.6K/Si_029_293.6K.ace" temperature="2.53e-08" zaid="14029"/>
<ace_table alias="Si-30.71c" awr="29.716" location="1" name="14030.71c" path="293.6K/Si_030_293.6K.ace" temperature="2.53e-08" zaid="14030"/>
<ace_table alias="P-31.71c" awr="30.708" location="1" name="15031.71c" path="293.6K/P_031_293.6K.ace" temperature="2.53e-08" zaid="15031"/>
<ace_table alias="S-32.71c" awr="31.6973" location="1" name="16032.71c" path="293.6K/S_032_293.6K.ace" temperature="2.53e-08" zaid="16032"/>
<ace_table alias="S-33.71c" awr="32.6878" location="1" name="16033.71c" path="293.6K/S_033_293.6K.ace" temperature="2.53e-08" zaid="16033"/>
<ace_table alias="S-34.71c" awr="33.6762" location="1" name="16034.71c" path="293.6K/S_034_293.6K.ace" temperature="2.53e-08" zaid="16034"/>
<ace_table alias="S-36.71c" awr="35.658" location="1" name="16036.71c" path="293.6K/S_036_293.6K.ace" temperature="2.53e-08" zaid="16036"/>
<ace_table alias="Cl-35.71c" awr="34.66845" location="1" name="17035.71c" path="293.6K/Cl_035_293.6K.ace" temperature="2.53e-08" zaid="17035"/>
<ace_table alias="Cl-37.71c" awr="36.6483" location="1" name="17037.71c" path="293.6K/Cl_037_293.6K.ace" temperature="2.53e-08" zaid="17037"/>
<ace_table alias="Ar-36.71c" awr="35.6585" location="1" name="18036.71c" path="293.6K/Ar_036_293.6K.ace" temperature="2.53e-08" zaid="18036"/>
<ace_table alias="Ar-38.71c" awr="37.6366" location="1" name="18038.71c" path="293.6K/Ar_038_293.6K.ace" temperature="2.53e-08" zaid="18038"/>
<ace_table alias="Ar-40.71c" awr="39.6191" location="1" name="18040.71c" path="293.6K/Ar_040_293.6K.ace" temperature="2.53e-08" zaid="18040"/>
<ace_table alias="K-39.71c" awr="38.6293" location="1" name="19039.71c" path="293.6K/K_039_293.6K.ace" temperature="2.53e-08" zaid="19039"/>
<ace_table alias="K-40.71c" awr="39.6207" location="1" name="19040.71c" path="293.6K/K_040_293.6K.ace" temperature="2.53e-08" zaid="19040"/>
<ace_table alias="K-41.71c" awr="40.6101" location="1" name="19041.71c" path="293.6K/K_041_293.6K.ace" temperature="2.53e-08" zaid="19041"/>
<ace_table alias="Ca-40.71c" awr="39.6193" location="1" name="20040.71c" path="293.6K/Ca_040_293.6K.ace" temperature="2.53e-08" zaid="20040"/>
<ace_table alias="Ca-42.71c" awr="41.59818" location="1" name="20042.71c" path="293.6K/Ca_042_293.6K.ace" temperature="2.53e-08" zaid="20042"/>
<ace_table alias="Ca-43.71c" awr="42.58973" location="1" name="20043.71c" path="293.6K/Ca_043_293.6K.ace" temperature="2.53e-08" zaid="20043"/>
<ace_table alias="Ca-44.71c" awr="43.57788" location="1" name="20044.71c" path="293.6K/Ca_044_293.6K.ace" temperature="2.53e-08" zaid="20044"/>
<ace_table alias="Ca-46.71c" awr="45.55893" location="1" name="20046.71c" path="293.6K/Ca_046_293.6K.ace" temperature="2.53e-08" zaid="20046"/>
<ace_table alias="Ca-48.71c" awr="47.5406" location="1" name="20048.71c" path="293.6K/Ca_048_293.6K.ace" temperature="2.53e-08" zaid="20048"/>
<ace_table alias="Sc-45.71c" awr="44.5679" location="1" name="21045.71c" path="293.6K/Sc_045_293.6K.ace" temperature="2.53e-08" zaid="21045"/>
<ace_table alias="Ti-46.71c" awr="45.5579" location="1" name="22046.71c" path="293.6K/Ti_046_293.6K.ace" temperature="2.53e-08" zaid="22046"/>
<ace_table alias="Ti-47.71c" awr="46.5484" location="1" name="22047.71c" path="293.6K/Ti_047_293.6K.ace" temperature="2.53e-08" zaid="22047"/>
<ace_table alias="Ti-48.71c" awr="47.5361" location="1" name="22048.71c" path="293.6K/Ti_048_293.6K.ace" temperature="2.53e-08" zaid="22048"/>
<ace_table alias="Ti-49.71c" awr="48.5274" location="1" name="22049.71c" path="293.6K/Ti_049_293.6K.ace" temperature="2.53e-08" zaid="22049"/>
<ace_table alias="Ti-50.71c" awr="49.5157" location="1" name="22050.71c" path="293.6K/Ti_050_293.6K.ace" temperature="2.53e-08" zaid="22050"/>
<ace_table alias="V-50.71c" awr="49.5181" location="1" name="23050.71c" path="293.6K/V_050_293.6K.ace" temperature="2.53e-08" zaid="23050"/>
<ace_table alias="V-51.71c" awr="50.5063" location="1" name="23051.71c" path="293.6K/V_051_293.6K.ace" temperature="2.53e-08" zaid="23051"/>
<ace_table alias="Cr-50.71c" awr="49.517" location="1" name="24050.71c" path="293.6K/Cr_050_293.6K.ace" temperature="2.53e-08" zaid="24050"/>
<ace_table alias="Cr-52.71c" awr="51.494" location="1" name="24052.71c" path="293.6K/Cr_052_293.6K.ace" temperature="2.53e-08" zaid="24052"/>
<ace_table alias="Cr-53.71c" awr="52.486" location="1" name="24053.71c" path="293.6K/Cr_053_293.6K.ace" temperature="2.53e-08" zaid="24053"/>
<ace_table alias="Cr-54.71c" awr="53.476" location="1" name="24054.71c" path="293.6K/Cr_054_293.6K.ace" temperature="2.53e-08" zaid="24054"/>
<ace_table alias="Mn-55.71c" awr="54.4661" location="1" name="25055.71c" path="293.6K/Mn_055_293.6K.ace" temperature="2.53e-08" zaid="25055"/>
<ace_table alias="Fe-54.71c" awr="53.476" location="1" name="26054.71c" path="293.6K/Fe_054_293.6K.ace" temperature="2.53e-08" zaid="26054"/>
<ace_table alias="Fe-56.71c" awr="55.454" location="1" name="26056.71c" path="293.6K/Fe_056_293.6K.ace" temperature="2.53e-08" zaid="26056"/>
<ace_table alias="Fe-57.71c" awr="56.446" location="1" name="26057.71c" path="293.6K/Fe_057_293.6K.ace" temperature="2.53e-08" zaid="26057"/>
<ace_table alias="Fe-58.71c" awr="57.436" location="1" name="26058.71c" path="293.6K/Fe_058_293.6K.ace" temperature="2.53e-08" zaid="26058"/>
<ace_table alias="Co-58.71c" awr="57.4381" location="1" name="27058.71c" path="293.6K/Co_058_293.6K.ace" temperature="2.53e-08" zaid="27058"/>
<ace_table alias="Co-58m.71c" awr="57.4381" location="1" metastable="1" name="27458.71c" path="293.6K/Co_058m1_293.6K.ace" temperature="2.53e-08" zaid="27458"/>
<ace_table alias="Co-59.71c" awr="58.4269" location="1" name="27059.71c" path="293.6K/Co_059_293.6K.ace" temperature="2.53e-08" zaid="27059"/>
<ace_table alias="Ni-58.71c" awr="57.438" location="1" name="28058.71c" path="293.6K/Ni_058_293.6K.ace" temperature="2.53e-08" zaid="28058"/>
<ace_table alias="Ni-59.71c" awr="58.4281" location="1" name="28059.71c" path="293.6K/Ni_059_293.6K.ace" temperature="2.53e-08" zaid="28059"/>
<ace_table alias="Ni-60.71c" awr="59.416" location="1" name="28060.71c" path="293.6K/Ni_060_293.6K.ace" temperature="2.53e-08" zaid="28060"/>
<ace_table alias="Ni-61.71c" awr="60.408" location="1" name="28061.71c" path="293.6K/Ni_061_293.6K.ace" temperature="2.53e-08" zaid="28061"/>
<ace_table alias="Ni-62.71c" awr="61.396" location="1" name="28062.71c" path="293.6K/Ni_062_293.6K.ace" temperature="2.53e-08" zaid="28062"/>
<ace_table alias="Ni-64.71c" awr="63.379" location="1" name="28064.71c" path="293.6K/Ni_064_293.6K.ace" temperature="2.53e-08" zaid="28064"/>
<ace_table alias="Cu-63.71c" awr="62.389" location="1" name="29063.71c" path="293.6K/Cu_063_293.6K.ace" temperature="2.53e-08" zaid="29063"/>
<ace_table alias="Cu-65.71c" awr="64.37" location="1" name="29065.71c" path="293.6K/Cu_065_293.6K.ace" temperature="2.53e-08" zaid="29065"/>
<ace_table alias="Zn-64.71c" awr="63.38" location="1" name="30064.71c" path="293.6K/Zn_064_293.6K.ace" temperature="2.53e-08" zaid="30064"/>
<ace_table alias="Zn-65.71c" awr="64.3715" location="1" name="30065.71c" path="293.6K/Zn_065_293.6K.ace" temperature="2.53e-08" zaid="30065"/>
<ace_table alias="Zn-66.71c" awr="65.3597" location="1" name="30066.71c" path="293.6K/Zn_066_293.6K.ace" temperature="2.53e-08" zaid="30066"/>
<ace_table alias="Zn-67.71c" awr="66.3522" location="1" name="30067.71c" path="293.6K/Zn_067_293.6K.ace" temperature="2.53e-08" zaid="30067"/>
<ace_table alias="Zn-68.71c" awr="67.3413" location="1" name="30068.71c" path="293.6K/Zn_068_293.6K.ace" temperature="2.53e-08" zaid="30068"/>
<ace_table alias="Zn-70.71c" awr="69.3246" location="1" name="30070.71c" path="293.6K/Zn_070_293.6K.ace" temperature="2.53e-08" zaid="30070"/>
<ace_table alias="Ga-69.71c" awr="68.3336" location="1" name="31069.71c" path="293.6K/Ga_069_293.6K.ace" temperature="2.53e-08" zaid="31069"/>
<ace_table alias="Ga-71.71c" awr="70.315" location="1" name="31071.71c" path="293.6K/Ga_071_293.6K.ace" temperature="2.53e-08" zaid="31071"/>
<ace_table alias="Ge-70.71c" awr="69.3236" location="1" name="32070.71c" path="293.6K/Ge_070_293.6K.ace" temperature="2.53e-08" zaid="32070"/>
<ace_table alias="Ge-72.71c" awr="71.3042" location="1" name="32072.71c" path="293.6K/Ge_072_293.6K.ace" temperature="2.53e-08" zaid="32072"/>
<ace_table alias="Ge-73.71c" awr="72.297" location="1" name="32073.71c" path="293.6K/Ge_073_293.6K.ace" temperature="2.53e-08" zaid="32073"/>
<ace_table alias="Ge-74.71c" awr="73.2862" location="1" name="32074.71c" path="293.6K/Ge_074_293.6K.ace" temperature="2.53e-08" zaid="32074"/>
<ace_table alias="Ge-76.71c" awr="75.2692" location="1" name="32076.71c" path="293.6K/Ge_076_293.6K.ace" temperature="2.53e-08" zaid="32076"/>
<ace_table alias="As-74.71c" awr="73.2889" location="1" name="33074.71c" path="293.6K/As_074_293.6K.ace" temperature="2.53e-08" zaid="33074"/>
<ace_table alias="As-75.71c" awr="74.278" location="1" name="33075.71c" path="293.6K/As_075_293.6K.ace" temperature="2.53e-08" zaid="33075"/>
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<ace_table alias="Cm-242.72c" awr="239.979" location="1" name="96242.72c" path="300K/Cm_242_300K.ace" temperature="2.585e-08" zaid="96242"/>
<ace_table alias="Cm-243.72c" awr="240.973" location="1" name="96243.72c" path="300K/Cm_243_300K.ace" temperature="2.585e-08" zaid="96243"/>
<ace_table alias="Cm-244.72c" awr="241.966" location="1" name="96244.72c" path="300K/Cm_244_300K.ace" temperature="2.585e-08" zaid="96244"/>
<ace_table alias="Cm-245.72c" awr="242.96" location="1" name="96245.72c" path="300K/Cm_245_300K.ace" temperature="2.585e-08" zaid="96245"/>
<ace_table alias="Cm-246.72c" awr="243.953" location="1" name="96246.72c" path="300K/Cm_246_300K.ace" temperature="2.585e-08" zaid="96246"/>
<ace_table alias="Cm-247.72c" awr="244.948" location="1" name="96247.72c" path="300K/Cm_247_300K.ace" temperature="2.585e-08" zaid="96247"/>
<ace_table alias="Cm-248.72c" awr="245.941" location="1" name="96248.72c" path="300K/Cm_248_300K.ace" temperature="2.585e-08" zaid="96248"/>
<ace_table alias="Cm-249.72c" awr="246.936" location="1" name="96249.72c" path="300K/Cm_249_300K.ace" temperature="2.585e-08" zaid="96249"/>
<ace_table alias="Cm-250.72c" awr="247.93" location="1" name="96250.72c" path="300K/Cm_250_300K.ace" temperature="2.585e-08" zaid="96250"/>
<ace_table alias="Bk-245.72c" awr="242.961" location="1" name="97245.72c" path="300K/Bk_245_300K.ace" temperature="2.585e-08" zaid="97245"/>
<ace_table alias="Bk-246.72c" awr="243.955" location="1" name="97246.72c" path="300K/Bk_246_300K.ace" temperature="2.585e-08" zaid="97246"/>
<ace_table alias="Bk-247.72c" awr="244.948" location="1" name="97247.72c" path="300K/Bk_247_300K.ace" temperature="2.585e-08" zaid="97247"/>
<ace_table alias="Bk-248.72c" awr="245.942" location="1" name="97248.72c" path="300K/Bk_248_300K.ace" temperature="2.585e-08" zaid="97248"/>
<ace_table alias="Bk-249.72c" awr="246.935" location="1" name="97249.72c" path="300K/Bk_249_300K.ace" temperature="2.585e-08" zaid="97249"/>
<ace_table alias="Bk-250.72c" awr="247.93" location="1" name="97250.72c" path="300K/Bk_250_300K.ace" temperature="2.585e-08" zaid="97250"/>
<ace_table alias="Cf-246.72c" awr="243.955" location="1" name="98246.72c" path="300K/Cf_246_300K.ace" temperature="2.585e-08" zaid="98246"/>
<ace_table alias="Cf-248.72c" awr="245.941" location="1" name="98248.72c" path="300K/Cf_248_300K.ace" temperature="2.585e-08" zaid="98248"/>
<ace_table alias="Cf-249.72c" awr="246.935" location="1" name="98249.72c" path="300K/Cf_249_300K.ace" temperature="2.585e-08" zaid="98249"/>
<ace_table alias="Cf-250.72c" awr="247.928" location="1" name="98250.72c" path="300K/Cf_250_300K.ace" temperature="2.585e-08" zaid="98250"/>
<ace_table alias="Cf-251.72c" awr="248.923" location="1" name="98251.72c" path="300K/Cf_251_300K.ace" temperature="2.585e-08" zaid="98251"/>
<ace_table alias="Cf-252.72c" awr="249.916" location="1" name="98252.72c" path="300K/Cf_252_300K.ace" temperature="2.585e-08" zaid="98252"/>
<ace_table alias="Cf-253.72c" awr="250.911" location="1" name="98253.72c" path="300K/Cf_253_300K.ace" temperature="2.585e-08" zaid="98253"/>
<ace_table alias="Cf-254.72c" awr="251.905" location="1" name="98254.72c" path="300K/Cf_254_300K.ace" temperature="2.585e-08" zaid="98254"/>
<ace_table alias="Es-251.72c" awr="248.923" location="1" name="99251.72c" path="300K/Es_251_300K.ace" temperature="2.585e-08" zaid="99251"/>
<ace_table alias="Es-252.72c" awr="249.917" location="1" name="99252.72c" path="300K/Es_252_300K.ace" temperature="2.585e-08" zaid="99252"/>
<ace_table alias="Es-253.72c" awr="250.911" location="1" name="99253.72c" path="300K/Es_253_300K.ace" temperature="2.585e-08" zaid="99253"/>
<ace_table alias="Es-254.72c" awr="251.905" location="1" name="99254.72c" path="300K/Es_254_300K.ace" temperature="2.585e-08" zaid="99254"/>
<ace_table alias="Es-254m.72c" awr="251.905" location="1" metastable="1" name="99654.72c" path="300K/Es_254m1_300K.ace" temperature="2.585e-08" zaid="99654"/>
<ace_table alias="Es-255.72c" awr="252.899" location="1" name="99255.72c" path="300K/Es_255_300K.ace" temperature="2.585e-08" zaid="99255"/>
<ace_table alias="Fm-255.72c" awr="252.899" location="1" name="100255.72c" path="300K/Fm_255_300K.ace" temperature="2.585e-08" zaid="100255"/>
<ace_table awr="26.74975" location="1" name="Al.71t" path="tsl/al.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="8.93478" location="1" name="BeBeO.71t" path="tsl/bebeo.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="8.93478" location="1" name="Be.71t" path="tsl/be.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="0.999167" location="1" name="Benz.71t" path="tsl/benzine.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="1.9968" location="1" name="DD2O.71t" path="tsl/dd2o.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="55.454" location="1" name="Fe.71t" path="tsl/fe.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="11.898" location="1" name="Graph.71t" path="tsl/graphite.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="0.999167" location="1" name="HCH2.71t" path="tsl/hch2.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="0.999167" location="1" name="HH2O.71t" path="tsl/hh2o.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="0.999167" location="1" name="HZrH.71t" path="tsl/hzrh.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="0.999167" location="1" name="lCH4.71t" path="tsl/lch4.acer" temperature="8.617e-09" zaid="0"/>
<ace_table awr="15.85751" location="1" name="OBeO.71t" path="tsl/obeo.acer" temperature="2.53e-08" zaid="0"/>
<ace_table awr="1.9968" location="1" name="orthoD.71t" path="tsl/orthod.acer" temperature="1.637e-09" zaid="0"/>
<ace_table awr="0.999167" location="1" name="orthoH.71t" path="tsl/orthoh.acer" temperature="1.723e-09" zaid="0"/>
<ace_table awr="15.85751" location="1" name="OUO2.71t" path="tsl/ouo2.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="1.9968" location="1" name="paraD.71t" path="tsl/parad.acer" temperature="1.637e-09" zaid="0"/>
<ace_table awr="0.999167" location="1" name="paraH.71t" path="tsl/parah.acer" temperature="1.723e-09" zaid="0"/>
<ace_table awr="0.999167" location="1" name="sCH4.71t" path="tsl/sch4.acer" temperature="1.896e-09" zaid="0"/>
<ace_table awr="236.0058" location="1" name="UUO2.71t" path="tsl/uuo2.acer" temperature="2.551e-08" zaid="0"/>
<ace_table awr="89.1324" location="1" name="ZrZrH.71t" path="tsl/zrzrh.acer" temperature="2.551e-08" zaid="0"/>
</cross_sections>

2707
data/cross_sections_serpent.xml
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File diff suppressed because it is too large Load diff

183
data/get_nndc_data.py
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@ -1,183 +0,0 @@
#!/usr/bin/env python
from __future__ import print_function
import os
import shutil
import subprocess
import sys
import tarfile
import glob
import hashlib
import argparse
parser = argparse.ArgumentParser()
parser.add_argument('-b', '--batch', action = 'store_true',
help = 'supresses standard in')
args = parser.parse_args()
try:
from urllib.request import urlopen
except ImportError:
from urllib2 import urlopen
cwd = os.getcwd()
sys.path.insert(0, os.path.join(cwd, '..'))
from openmc.ace import ascii_to_binary
baseUrl = 'http://www.nndc.bnl.gov/endf/b7.1/aceFiles/'
files = ['ENDF-B-VII.1-neutron-293.6K.tar.gz',
'ENDF-B-VII.1-tsl.tar.gz']
checksums = ['9729a17eb62b75f285d8a7628ace1449',
'e17d827c92940a30f22f096d910ea186']
block_size = 16384
# ==============================================================================
# DOWNLOAD FILES FROM NNDC SITE
filesComplete = []
for f in files:
# Establish connection to URL
url = baseUrl + f
req = urlopen(url)
# Get file size from header
if sys.version_info[0] < 3:
file_size = int(req.info().getheaders('Content-Length')[0])
else:
file_size = req.length
downloaded = 0
# Check if file already downloaded
if os.path.exists(f):
if os.path.getsize(f) == file_size:
print('Skipping ' + f)
filesComplete.append(f)
continue
else:
if sys.version_info[0] < 3:
overwrite = raw_input('Overwrite {0}? ([y]/n) '.format(f))
else:
overwrite = input('Overwrite {0}? ([y]/n) '.format(f))
if overwrite.lower().startswith('n'):
continue
# Copy file to disk
print('Downloading {0}... '.format(f), end='')
with open(f, 'wb') as fh:
while True:
chunk = req.read(block_size)
if not chunk: break
fh.write(chunk)
downloaded += len(chunk)
status = '{0:10} [{1:3.2f}%]'.format(downloaded, downloaded * 100. / file_size)
print(status + chr(8)*len(status), end='')
print('')
filesComplete.append(f)
# ==============================================================================
# VERIFY MD5 CHECKSUMS
print('Verifying MD5 checksums...')
for f, checksum in zip(files, checksums):
downloadsum = hashlib.md5(open(f, 'rb').read()).hexdigest()
if downloadsum != checksum:
raise IOError("MD5 checksum for {} does not match. If this is your first "
"time receiving this message, please re-run the script. "
"Otherwise, please contact OpenMC developers by emailing "
"openmc-users@googlegroups.com.")
# ==============================================================================
# EXTRACT FILES FROM TGZ
for f in files:
if not f in filesComplete:
continue
# Extract files
suffix = f[f.rindex('-') + 1:].rstrip('.tar.gz')
with tarfile.open(f, 'r') as tgz:
print('Extracting {0}...'.format(f))
tgz.extractall(path='nndc/' + suffix)
# Move ACE files down one level
for filename in glob.glob('nndc/293.6K/ENDF-B-VII.1-neutron-293.6K/*'):
shutil.move(filename, 'nndc/293.6K/')
#===============================================================================
# EDIT GRAPHITE ZAID (6012 to 6000)
print('Changing graphite ZAID from 6012 to 6000')
graphite = os.path.join('nndc', 'tsl', 'graphite.acer')
with open(graphite) as fh:
text = fh.read()
text = text.replace('6012', '6000', 1)
with open(graphite, 'w') as fh:
fh.write(text)
# ==============================================================================
# COPY CROSS_SECTIONS.XML
print('Copying cross_sections_nndc.xml...')
shutil.copyfile('cross_sections_nndc.xml', 'nndc/cross_sections.xml')
# ==============================================================================
# PROMPT USER TO DELETE .TAR.GZ FILES
# Ask user to delete
if not args.batch:
if sys.version_info[0] < 3:
response = raw_input('Delete *.tar.gz files? ([y]/n) ')
else:
response = input('Delete *.tar.gz files? ([y]/n) ')
else:
response = 'y'
# Delete files if requested
if not response or response.lower().startswith('y'):
for f in files:
if os.path.exists(f):
print('Removing {0}...'.format(f))
os.remove(f)
# ==============================================================================
# PROMPT USER TO CONVERT ASCII TO BINARY
# Ask user to convert
if not args.batch:
if sys.version_info[0] < 3:
response = raw_input('Convert ACE files to binary? ([y]/n) ')
else:
response = input('Convert ACE files to binary? ([y]/n) ')
else:
response = 'y'
# Convert files if requested
if not response or response.lower().startswith('y'):
# get a list of directories
ace_dirs = glob.glob(os.path.join('nndc', '*K'))
ace_dirs += glob.glob(os.path.join('nndc', 'tsl'))
# loop around ace directories
for d in ace_dirs:
print('Converting {0}...'.format(d))
# get a list of files to convert
ace_files = glob.glob(os.path.join(d, '*.ace*'))
# convert files
for f in ace_files:
print(' Converting {0}...'.format(os.path.split(f)[1]))
ascii_to_binary(f, f)
# Change cross_sections.xml file
xs_file = os.path.join('nndc', 'cross_sections.xml')
asc_str = "<filetype>ascii</filetype>"
bin_str = "<filetype> binary </filetype>\n "
bin_str += "<record_length> 4096 </record_length>\n "
bin_str += "<entries> 512 </entries>"
with open(xs_file) as fh:
text = fh.read()
text = text.replace(asc_str, bin_str)
with open(xs_file, 'w') as fh:
fh.write(text)

37
data/readme.rst
View file

@ -1,37 +0,0 @@
========================
cross_sections.xml Files
========================
As a reminder, in order to run a simulation with OpenMC, you will need cross
section data for each nuclide in your problem. OpenMC is not currently
distributed with cross section data, so you will have to obtain cross section
data by other means. The `user's guide`_ offers some helpful advice on how you
can obtain cross sections.
When OpenMC starts up, it needs a cross_sections.xml file that tells it where to
find ACE format cross sections. The files in this directory are configured to
work with a few common cross section sources.
- **cross_sections_ascii.xml** -- This file matches ENDF/B-VII.0 cross sections
distributed with MCNP5 / MCNP6 beta.
- **cross_sections_nndc.xml** -- This file matches ENDF/B-VII.1 cross sections
distributed from the `NNDC website`_.
- **cross_sections_serpent.xml** -- This file matches ENDF/B-VII.0 cross
sections distributed with Serpent 1.1.7.
- **cross_sections.xml** - This file matches ENDF/B-VII.0 cross sections
distributed with MCNP5 / MCNP6 beta *that have been converted to binary*.
To use any of these files, you need to follow two steps:
1. Change the path on the ``<directory>`` element in the cross_sections.xml file
to the directory containing the ACE files.
2. Enter the absolute path of the cross_sections.xml on the ``<cross_sections>``
element in your settings.xml, or set the CROSS_SECTIONS environment variable to
the full path of the cross_sections.xml file.
.. _user's guide: http://mit-crpg.github.io/openmc/usersguide/install.html#cross-section-configuration
.. _NNDC website: http://www.nndc.bnl.gov/endf/b7.1/acefiles.html

18
docs/Makefile
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@ -13,10 +13,8 @@ PAPEROPT_a4 = -D latex_paper_size=a4
PAPEROPT_letter = -D latex_paper_size=letter
ALLSPHINXOPTS = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source
# SVG to PDF conversion
SVG2PDF = inkscape
PDFS = $(patsubst %.svg,%.pdf,$(wildcard $(IMAGEDIR)/*.svg))
# Tikz to PNG conversion
PNGS = $(patsubst %.tex,%.png,$(wildcard $(IMAGEDIR)/*.tex))
.PHONY: help images clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest
@ -39,16 +37,14 @@ help:
@echo " linkcheck to check all external links for integrity"
@echo " doctest to run all doctests embedded in the documentation (if enabled)"
# Pattern rule for converting SVG to PDF
%.pdf: %.svg
$(SVG2PDF) -f $< -A $@
# Rule to build PDFs
images: $(PDFS)
%.png: %.tex
pdflatex --interaction=nonstopmode --output-directory=$(IMAGEDIR) $<
pdftoppm -r 120 -singlefile $(patsubst %.tex,%.pdf, $<) $(basename $<)
convert -trim -fuzz 2% -transparent white $(patsubst %.tex,%.ppm,$<) $@
clean:
-rm -rf $(BUILDDIR)/*
-rm $(PDFS)
-rm -rf source/pythonapi/generated/
html:
$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html

11
docs/requirements-rtd.txt Normal file
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@ -0,0 +1,11 @@
sphinx-numfig
jupyter
sphinxcontrib-katex
sphinxcontrib-svg2pdfconverter
nbsphinx
numpy
scipy
h5py
pandas
uncertainties
matplotlib

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12
docs/source/methods/cmfd_tikz/cmfd_flow.tikz → docs/source/_images/cmfd_flow.tex
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@ -1,3 +1,12 @@
\documentclass{standalone}
\usepackage[utf8]{inputenc}
\usepackage{amsmath}
\usepackage{tikz}
\usepackage{pgfplots}
\pgfplotsset{compat=1.11}
\usetikzlibrary{shapes,snakes,shadows,arrows,calc,decorations.markings,patterns,fit,matrix,spy}
\pagestyle{empty}
\begin{document}
\begin{tikzpicture}
\matrix[every node/.style={draw, thick, minimum width=3cm, minimum height=1cm, align=center}, column sep=2cm, row sep=1cm] (m) {
\node[draw, fill=red!40] (start) {Batch $i$ \\ tally NDA}; & \\
@ -16,4 +25,5 @@
\draw (modify.north) -- (end.south);
\end{scope}
\end{tikzpicture}
\end{tikzpicture}
\end{document}

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41
docs/source/methods/cmfd_tikz/meshfig.tikz → docs/source/_images/meshfig.tex
View file

@ -1,10 +1,20 @@
\documentclass[tikz]{standalone}
\usepackage[utf8]{inputenc}
\usepackage{amsmath}
\usepackage{tikz}
\usepackage{pgfplots}
\pgfplotsset{compat=1.11}
\usetikzlibrary{shapes,snakes,shadows,arrows,calc,decorations.markings,patterns,fit,matrix,spy}
\usepackage{fixltx2e}
\pagestyle{empty}
\begin{document}
% these dimensions are determined in arrow_dimms.ods
\def\scale{1.0}
\def\latWidth{0.2808363589*\scale}
\def\RPVOR{3*\scale}
\def\rectW{0.75*\scale}
\def\RPVIR{2.8694005485*\scale}
@ -20,7 +30,7 @@
\def\bafMIRy{1.5445999739*\scale}
\def\bafMORx{1.8544620609*\scale}
\def\bafMORy{1.573625702*\scale}
\tikzset{Assembly/.style={
inner sep=0pt,
text width=\latWidth in,
@ -29,13 +39,13 @@
align=center
}
}
\def\tkzRPV{(0,0) circle (\RPVIR) (0,0) circle (\RPVOR)}
\def\tkzBarrel{(0,0) circle (\BarrelIR) (0,0) circle (\BarrelOR)}
\def\tkzShields{(0,0) circle (\BarrelOR) (0,0) circle (\ShieldOR)}
\def\tkzBaffCOR{(-\bafCORx, -\bafCORy) rectangle (\bafCORx, \bafCORy)}
\def\tkzBaffCIR{(-\bafCIRx, -\bafCIRy) rectangle (\bafCIRx, \bafCIRy)}
\def\tkzBaffCIR{(-\bafCIRx, -\bafCIRy) rectangle (\bafCIRx, \bafCIRy)}
\def\tkzBaffMOR{(-\bafMORx, -\bafMORy) rectangle (\bafMORx, \bafMORy)}
\def\tkzBaffMIR{(-\bafMIRx, -\bafMIRy) rectangle (\bafMIRx, \bafMIRy) }
\def\tkzBaffleC{ \tkzBaffCIR \tkzBaffCOR }
@ -53,7 +63,7 @@
\begin{tikzpicture}[x=1in,y=1in, xshift=3in]
\scalebox{0.6}{
% draw RPV, barrel, and shield panels
\path[fill=black,even odd rule] \tkzRPV;
\path[fill=black,even odd rule] \tkzBarrel;
\begin{scope}
@ -61,9 +71,9 @@
\path[fill=black,even odd rule] \tkzShields;
\end{scope}
% draw assembly row/column headers
\draw[red, thick] ($(-7*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {R} -- ($(-7*\latWidth,4*\latWidth)$);
\draw[red, thick] ($(-6*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {P} -- ($(-6*\latWidth,6*\latWidth)$);
\draw[red, thick] ($(-5*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {N} -- ($(-5*\latWidth,7*\latWidth)$);
@ -79,7 +89,7 @@
\draw[red, thick] ($(5*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {C} -- ($(5*\latWidth,7*\latWidth)$);
\draw[red, thick] ($(6*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {B} -- ($(6*\latWidth,6*\latWidth)$);
\draw[red, thick] ($(7*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[above, anchor=south] {A} -- ($(7*\latWidth,4*\latWidth)$);
\begin{scope}[rotate=90]
\draw[red, thick] ($(-7*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[left, anchor=east] {15} -- ($(-7*\latWidth,4*\latWidth)$);
\draw[red, thick] ($(-6*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[left, anchor=east] {14} -- ($(-6*\latWidth,6*\latWidth)$);
@ -97,7 +107,7 @@
\draw[red, thick] ($(6*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[left, anchor=east] {2} -- ($(6*\latWidth,6*\latWidth)$);
\draw[red, thick] ($(7*\latWidth,\RPVOR/\latWidth*\latWidth)$) node[left, anchor=east] {1} -- ($(7*\latWidth,4*\latWidth)$);
\end{scope}
% draw fuel assembly nodes
\node [Assembly, fill=\lightgray, opacity=0.3] at ($(-8*\latWidth,8*\latWidth)$) {};
\node [Assembly, fill=\lightgray, opacity=0.3] at ($(-7*\latWidth,8*\latWidth)$) {};
@ -116,7 +126,7 @@
\node [Assembly, fill=\lightgray, opacity=0.3] at ($( 6*\latWidth,8*\latWidth)$) {};
\node [Assembly, fill=\lightgray, opacity=0.3] at ($( 7*\latWidth,8*\latWidth)$) {};
\node [Assembly, fill=\lightgray, opacity=0.3] at ($( 8*\latWidth,8*\latWidth)$) {};
\node [Assembly, fill=\lightgray, opacity=0.3] at ($(-8*\latWidth,7*\latWidth)$) {};
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.. _capi:
=========
C/C++ API
=========
The libopenmc shared library that is built when installing OpenMC exports a
number of C interoperable functions and global variables that can be used for
in-memory coupling. While it is possible to directly use the C/C++ API as
documented here for coupling, most advanced users will find it easier to work
with the Python bindings in the :py:mod:`openmc.lib` module.
.. warning:: The C/C++ API is still experimental and may undergo substantial
changes in future releases.
----------------
Type Definitions
----------------
.. c:type:: Bank
Attributes of a source particle.
.. c:member:: double wgt
Weight of the particle
.. c:member:: double xyz[3]
Position of the particle (units of cm)
.. c:member:: double uvw[3]
Unit vector indicating direction of the particle
.. c:member:: double E
Energy of the particle in eV
.. c:member:: int delayed_group
If the particle is a delayed neutron, indicates which delayed precursor
group it was born from. If not a delayed neutron, this member is zero.
---------
Functions
---------
.. c:function:: int openmc_calculate_volumes()
Run a stochastic volume calculation
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_get_fill(int32_t index, int* type, int32_t** indices, int32_t* n)
Get the fill for a cell
:param int32_t index: Index in the cells array
:param int* type: Type of the fill
:param int32_t** indices: Array of material indices for cell
:param int32_t* n: Length of indices array
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_get_id(int32_t index, int32_t* id)
Get the ID of a cell
:param int32_t index: Index in the cells array
:param int32_t* id: ID of the cell
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_get_temperature(int32_t index, const int32_t* instance, double* T)
Get the temperature of a cell
:param int32_t index: Index in the cells array
:param int32_t* instance: Which instance of the cell. If a null pointer is passed, the temperature
of the first instance is returned.
:param double* T: temperature of the cell
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_set_fill(int32_t index, int type, int32_t n, const int32_t* indices)
Set the fill for a cell
:param int32_t index: Index in the cells array
:param int type: Type of the fill
:param int32_t n: Length of indices array
:param indices: Array of material indices for cell
:type indices: const int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_set_id(int32_t index, int32_t id)
Set the ID of a cell
:param int32_t index: Index in the cells array
:param int32_t id: ID of the cell
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_set_temperature(index index, double T, const int32_t* instance, bool set_contained)
Set the temperature of a cell.
:param int32_t index: Index in the cells array
:param double T: Temperature in Kelvin
:param instance: Which instance of the cell. To set the temperature for all
instances, pass a null pointer.
:param set_contained: If the cell is not filled by a material, whether to set the temperatures
of all filled cells
:type instance: const int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_energy_filter_get_bins(int32_t index, double** energies, int32_t* n)
Return the bounding energies for an energy filter
:param int32_t index: Index in the filters array
:param double** energies: Bounding energies of the bins for the energy filter
:param int32_t* n: Number of energies specified
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_energy_filter_set_bins(int32_t index, int32_t n, const double* energies)
Set the bounding energies for an energy filter
:param int32_t index: Index in the filters array
:param int32_t n: Number of energies specified
:param energies: Bounding energies of the bins for the energy filter
:type energies: const double*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_extend_cells(int32_t n, int32_t* index_start, int32_t* index_end)
Extend the cells array by n elements
:param int32_t n: Number of cells to create
:param int32_t* index_start: Index of first new cell
:param int32_t* index_end: Index of last new cell
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_extend_filters(int32_t n, int32_t* index_start, int32_t* index_end)
Extend the filters array by n elements
:param int32_t n: Number of filters to create
:param int32_t* index_start: Index of first new filter
:param int32_t* index_end: Index of last new filter
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_extend_materials(int32_t n, int32_t* index_start, int32_t* index_end)
Extend the materials array by n elements
:param int32_t n: Number of materials to create
:param int32_t* index_start: Index of first new material
:param int32_t* index_end: Index of last new material
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_extend_sources(int32_t n, int32_t* index_start, int32_t* index_end)
Extend the external sources array by n elements
:param int32_t n: Number of sources to create
:param int32_t* index_start: Index of first new source
:param int32_t* index_end: Index of last new source
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_extend_tallies(int32_t n, int32_t* index_start, int32_t* index_end)
Extend the tallies array by n elements
:param int32_t n: Number of tallies to create
:param int32_t* index_start: Index of first new tally
:param int32_t* index_end: Index of last new tally
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_filter_get_id(int32_t index, int32_t* id)
Get the ID of a filter
:param int32_t index: Index in the filters array
:param int32_t* id: ID of the filter
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_filter_set_id(int32_t index, int32_t id)
Set the ID of a filter
:param int32_t index: Index in the filters array
:param int32_t id: ID of the filter
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_finalize()
Finalize a simulation
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_find(double* xyz, int rtype, int32_t* id, int32_t* instance)
Determine the ID of the cell/material containing a given point
:param double[3] xyz: Cartesian coordinates
:param int rtype: Which ID to return (1=cell, 2=material)
:param int32_t* id: ID of the cell/material found. If a material is requested
and the point is in a void, the ID is 0. If an error
occurs, the ID is -1.
:param int32_t* instance: If a cell is repeated in the geometry, the instance
of the cell that was found and zero otherwise.
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_cell_index(int32_t id, int32_t* index)
Get the index in the cells array for a cell with a given ID
:param int32_t id: ID of the cell
:param int32_t* index: Index in the cells array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_filter_index(int32_t id, int32_t* index)
Get the index in the filters array for a filter with a given ID
:param int32_t id: ID of the filter
:param int32_t* index: Index in the filters array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: void openmc_get_filter_next_id(int32_t* id)
Get an integer ID that has not been used by any filters.
:param int32_t* id: Unused integer ID
.. c:function:: int openmc_get_keff(double k_combined[2])
:param double[2] k_combined: Combined estimate of k-effective
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_material_index(int32_t id, int32_t* index)
Get the index in the materials array for a material with a given ID
:param int32_t id: ID of the material
:param int32_t* index: Index in the materials array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_n_batches(int* n_batches, bool get_max_batches)
Get number of batches to simulate
:param int* n_batches: Number of batches to simulate
:param bool get_max_batches: Whether to return `n_batches` or `n_max_batches` (only relevant when triggers are used)
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_get_nuclide_index(const char name[], int* index)
Get the index in the nuclides array for a nuclide with a given name
:param name: Name of the nuclide
:type name: const char[]
:param int* index: Index in the nuclides array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_tally_index(int32_t id, int32_t* index)
Get the index in the tallies array for a tally with a given ID
:param int32_t id: ID of the tally
:param int32_t* index: Index in the tallies array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_hard_reset()
Reset tallies, timers, and pseudo-random number generator state
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_init(int argc, char** argv, const void* intracomm)
Initialize OpenMC
:param int argc: Number of command-line arguments (including command)
:param char** argv: Command-line arguments
:param intracomm: MPI intracommunicator. If MPI is not being used, a null
pointer should be passed.
:type intracomm: const void*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_load_nuclide(const char* name, const double* temps, int n)
Load data for a nuclide from the HDF5 data library.
:param name: Name of the nuclide.
:type name: const char*
:param temps: Temperatures in [K] to load data at
:type temps: const double*
:param int n: Number of temperatures
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_add_nuclide(int32_t index, const char name[], double density)
Add a nuclide to an existing material. If the nuclide already exists, the
density is overwritten.
:param int32_t index: Index in the materials array
:param name: Name of the nuclide
:type name: const char[]
:param double density: Density in atom/b-cm
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_get_densities(int32_t index, int** nuclides, double** densities, int* n)
Get density for each nuclide in a material.
:param int32_t index: Index in the materials array
:param int** nuclides: Pointer to array of nuclide indices
:param double** densities: Pointer to the array of densities
:param int* n: Length of the array
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_get_density(int32_t index, double* density)
Get density of a material.
:param int32_t index: Index in the materials array
:param double* denity: Pointer to a density
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_get_id(int32_t index, int32_t* id)
Get the ID of a material
:param int32_t index: Index in the materials array
:param int32_t* id: ID of the material
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_material_set_density(int32_t index, double density, const char* units)
Set the density of a material.
:param int32_t index: Index in the materials array
:param double density: Density of the material
:param units: Units for density
:type units: const char*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_set_densities(int32_t index, int n, const char** name, const double* density)
:param int32_t index: Index in the materials array
:param int n: Length of name/density
:param name: Array of nuclide names
:type name: const char**
:param density: Array of densities
:type density: const double*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_set_id(int32_t index, int32_t id)
Set the ID of a material
:param int32_t index: Index in the materials array
:param int32_t id: ID of the material
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_material_filter_get_bins(int32_t index, int32_t** bins, int32_t* n)
Get the bins for a material filter
:param int32_t index: Index in the filters array
:param int32_t** bins: Index in the materials array for each bin
:param int32_t* n: Number of bins
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_material_filter_set_bins(int32_t index, int32_t n, const int32_t* bins)
Set the bins for a material filter
:param int32_t index: Index in the filters array
:param int32_t n: Number of bins
:param bins: Index in the materials array for each bin
:type bins: const int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_mesh_filter_set_mesh(int32_t index, int32_t index_mesh)
Set the mesh for a mesh filter
:param int32_t index: Index in the filters array
:param int32_t index_mesh: Index in the meshes array
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_next_batch()
Simulate next batch of particles. Must be called after openmc_simulation_init().
:return: Integer indicating whether simulation has finished (negative) or not
finished (zero).
:rtype: int
.. c:function:: int openmc_nuclide_name(int index, char** name)
Get name of a nuclide
:param int index: Index in the nuclides array
:param char** name: Name of the nuclide
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_plot_geometry()
Run plotting mode.
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_reset()
Resets all tally scores
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_run()
Run a simulation
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_set_n_batches(int32_t n_batches, bool set_max_batches, bool add_statepoint_batch)
Set number of batches and number of max batches
:param int32_t n_batches: Number of batches to simulate
:param bool set_max_batches: Whether to set `settings::n_max_batches` or `settings::n_batches` (only relevant when triggers are used)
:param bool add_statepoint_batch: Whether to add `n_batches` to `settings::statepoint_batch`
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_simulation_finalize()
Finalize a simulation.
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_simulation_init()
Initialize a simulation. Must be called after openmc_init().
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_source_bank(struct Bank** ptr, int64_t* n)
Return a pointer to the source bank array.
:param ptr: Pointer to the source bank array
:type ptr: struct Bank**
:param int64_t* n: Length of the source bank array
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_source_set_strength(int32_t index, double strength)
Set the strength of an external source
:param int32_t index: Index in the external source array
:param double strength: Source strength
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_statepoint_write(const char filename[], const bool* write_source)
Write a statepoint file
:param filename: Name of file to create. If a null pointer is passed, a
filename is assigned automatically.
:type filename: const char[]
:param write_source: Whether to include the source bank
:type write_source: const bool*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_tally_get_id(int32_t index, int32_t* id)
Get the ID of a tally
:param int32_t index: Index in the tallies array
:param int32_t* id: ID of the tally
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_get_filters(int32_t index, int32_t** indices, int* n)
Get filters specified in a tally
:param int32_t index: Index in the tallies array
:param int32_t** indices: Array of filter indices
:param int* n: Number of filters
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_get_n_realizations(int32_t index, int32_t* n)
:param int32_t index: Index in the tallies array
:param int32_t* n: Number of realizations
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_get_nuclides(int32_t index, int** nuclides, int* n)
Get nuclides specified in a tally
:param int32_t index: Index in the tallies array
:param int** nuclides: Array of nuclide indices
:param int* n: Number of nuclides
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_get_scores(int32_t index, int** scores, int* n)
Get scores specified for a tally
:param int32_t index: Index in the tallies array
:param int** scores: Array of scores
:param int* n: Number of scores
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_results(int32_t index, double** ptr, int shape_[3])
Get a pointer to tally results array.
:param int32_t index: Index in the tallies array
:param double** ptr: Pointer to the results array
:param int[3] shape_: Shape of the results array
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_set_filters(int32_t index, int n, const int32_t* indices)
Set filters for a tally
:param int32_t index: Index in the tallies array
:param int n: Number of filters
:param indices: Array of filter indices
:type indices: const int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_set_id(int32_t index, int32_t id)
Set the ID of a tally
:param int32_t index: Index in the tallies array
:param int32_t id: ID of the tally
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_set_nuclides(int32_t index, int n, const char** nuclides)
Set the nuclides for a tally
:param int32_t index: Index in the tallies array
:param int n: Number of nuclides
:param nuclides: Array of nuclide names
:type nuclides: const char**
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_set_scores(int32_t index, int n, const int* scores)
Set scores for a tally
:param int32_t index: Index in the tallies array
:param int n: Number of scores
:param scores: Array of scores
:type scores: const int*
:return: Return status (negative if an error occurred)
:rtype: int

88
docs/source/conf.py
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@ -13,10 +13,22 @@
import sys, os
# Determine if we're on Read the Docs server
on_rtd = os.environ.get('READTHEDOCS', None) == 'True'
# On Read the Docs, we need to mock a few third-party modules so we don't get
# ImportErrors when building documentation
from unittest.mock import MagicMock
MOCK_MODULES = [
'openmoc', 'openmc.data.reconstruct',
]
sys.modules.update((mod_name, MagicMock()) for mod_name in MOCK_MODULES)
# If extensions (or modules to document with autodoc) are in another directory,
# add these directories to sys.path here. If the directory is relative to the
# documentation root, use os.path.abspath to make it absolute, like shown here.
sys.path.insert(0, os.path.abspath('../sphinxext'))
sys.path.insert(0, os.path.abspath('../..'))
@ -24,13 +36,18 @@ sys.path.insert(0, os.path.abspath('../..'))
# Add any Sphinx extension module names here, as strings. They can be extensions
# coming with Sphinx (named 'sphinx.ext.*') or your custom ones.
extensions = ['sphinx.ext.autodoc',
'sphinx.ext.napoleon',
'sphinx.ext.pngmath',
'sphinx.ext.autosummary',
'sphinxcontrib.tikz',
'sphinx_numfig',
'notebook_sphinxext']
extensions = [
'sphinx.ext.autodoc',
'sphinx.ext.napoleon',
'sphinx.ext.autosummary',
'sphinx.ext.intersphinx',
'sphinx.ext.viewcode',
'sphinxcontrib.katex',
'sphinx_numfig',
'nbsphinx'
]
if not on_rtd:
extensions.append('sphinxcontrib.rsvgconverter')
# Add any paths that contain templates here, relative to this directory.
templates_path = ['_templates']
@ -45,17 +62,17 @@ source_suffix = '.rst'
master_doc = 'index'
# General information about the project.
project = u'OpenMC'
copyright = u'2011-2015, Massachusetts Institute of Technology'
project = 'OpenMC'
copyright = '2011-2020, Massachusetts Institute of Technology and OpenMC contributors'
# The version info for the project you're documenting, acts as replacement for
# |version| and |release|, also used in various other places throughout the
# built documents.
#
# The short X.Y version.
version = "0.7"
version = "0.12"
# The full version, including alpha/beta/rc tags.
release = "0.7.0"
release = "0.12.1-dev"
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
@ -103,21 +120,13 @@ pygments_style = 'tango'
# -- Options for HTML output ---------------------------------------------------
# The theme to use for HTML and HTML Help pages. Major themes that come with
# Sphinx are currently 'default' and 'sphinxdoc'.
html_theme = 'haiku'
#html_theme = 'altered_nature'
#html_theme = 'sphinxdoc'
# The theme to use for HTML and HTML Help pages
if not on_rtd:
import sphinx_rtd_theme
html_theme = 'sphinx_rtd_theme'
html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
# Theme options are theme-specific and customize the look and feel of a theme
# further. For a list of options available for each theme, see the
# documentation.
html_theme_options = {'full_logo': True,
'linkcolor': '#0c3762',
'visitedlinkcolor': '#0c3762'}
# Add any paths that contain custom themes here, relative to this directory.
#html_theme_path = ["_theme"]
html_logo = '_images/openmc_logo.png'
# The name for this set of Sphinx documents. If None, it defaults to
# "<project> v<release> documentation".
@ -126,10 +135,6 @@ html_title = "OpenMC Documentation"
# A shorter title for the navigation bar. Default is the same as html_title.
#html_short_title = None
# The name of an image file (relative to this directory) to place at the top
# of the sidebar.
html_logo = '_images/openmc.png'
# The name of an image file (within the static path) to use as favicon of the
# docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32
# pixels large.
@ -138,7 +143,10 @@ html_logo = '_images/openmc.png'
# Add any paths that contain custom static files (such as style sheets) here,
# relative to this directory. They are copied after the builtin static files,
# so a file named "default.css" will overwrite the builtin "default.css".
#html_static_path = ['_static']
html_static_path = ['_static']
def setup(app):
app.add_css_file('theme_overrides.css')
# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
# using the given strftime format.
@ -191,8 +199,8 @@ htmlhelp_basename = 'openmcdoc'
# Grouping the document tree into LaTeX files. List of tuples
# (source start file, target name, title, author, documentclass [howto/manual]).
latex_documents = [
('index', 'openmc.tex', u'OpenMC Documentation',
u'Massachusetts Institute of Technology', 'manual'),
('index', 'openmc.tex', 'OpenMC Documentation',
'OpenMC contributors', 'manual'),
]
latex_elements = {
@ -200,7 +208,7 @@ latex_elements = {
\usepackage{enumitem}
\usepackage{amsfonts}
\usepackage{amsmath}
\setlistdepth{9}
\setlistdepth{99}
\usepackage{tikz}
\usetikzlibrary{shapes,snakes,shadows,arrows,calc,decorations.markings,patterns,fit,matrix,spy}
\usepackage{fixltx2e}
@ -231,4 +239,14 @@ latex_elements = {
#Autodocumentation Flags
#autodoc_member_order = "groupwise"
#autoclass_content = "both"
#autosummary_generate = []
autosummary_generate = True
napoleon_use_ivar = True
intersphinx_mapping = {
'python': ('https://docs.python.org/3', None),
'numpy': ('https://numpy.org/doc/stable/', None),
'scipy': ('https://docs.scipy.org/doc/scipy/reference', None),
'pandas': ('https://pandas.pydata.org/pandas-docs/stable/', None),
'matplotlib': ('https://matplotlib.org/', None)
}

18
docs/source/developers.rst
View file

@ -1,18 +0,0 @@
.. _developers:
================
Development Team
================
Active development of the OpenMC Monte Carlo code is currently led by:
* `Paul Romano <https://github.com/paulromano>`_
* `Bryan Herman <https://github.com/bhermanmit>`_
* `Nick Horelik <https://github.com/nhorelik>`_
* `Adam Nelson <https://github.com/nelsonag>`_
* `Jon Walsh <https://github.com/walshjon>`_
* `Sterling Harper <https://github.com/smharper>`_
* `Will Boyd <https://github.com/wbinventor>`_
* `Benoit Forget <http://web.mit.edu/nse/people/faculty/forget.html>`_
* `Kord Smith <http://web.mit.edu/nse/people/faculty/smith.html>`_
* `Andrew Siegel <http://www.mcs.anl.gov/about/people_detail.php?id=404>`_

129
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@ -0,0 +1,129 @@
.. _devguide_contributing:
======================
Contributing to OpenMC
======================
Thank you for considering contributing to OpenMC! We look forward to welcoming
new members to the community and will do our best to help you get up to speed.
The purpose of this section is to document how the project is managed: how
contributions (bug fixes, enhancements, new features) are made, how they are
evaluated, who is permitted to merge pull requests, and what happens in the
event of disagreements. Once you have read through this section, the
:ref:`devguide_workflow` section outlines the actual mechanics of making a
contribution (forking, submitting a pull request, etc.).
The goal of our governance model is to:
- Encourage new contributions.
- Encourage contributors to remain involved.
- Avoid unnecessary processes and bureaucracy whenever possible.
- Create a transparent decision making process which makes it clear how
contributors can be involved in decision making.
Overview
--------
OpenMC uses a liberal contribution model for project governance. Anyone involved
in development in a non-trivial capacity is given an opportunity to influence
the direction of the project. Project decisions are made through a
consensus-seeking process rather than by voting.
Terminology
-----------
- A *Contributor* is any individual creating or commenting on an issue or pull
request.
- A *Committer* is a subset of contributors who are authorized to review and
merge pull requests.
- The *TC* (Technical Committee) is a group of committers who have the authority
to make decisions on behalf of the project team in order to resolve disputes.
- The *Project Lead* is a single individual who has the authority to make a final
decision when the TC is unable to reach consensus.
Contribution Process
--------------------
Any change to the OpenMC repository must be made through a pull request (PR).
This applies to all changes to documentation, code, binary files, etc. Even long
term committers and TC members must use pull requests.
No pull request may be merged without being independently reviewed.
For non-trivial contributions, pull requests should not be merged for at least
36 hours to ensure that contributors in other timezones have time to review.
Consideration should be given to weekends and other holiday periods to ensure
active committers have reasonable time to become involved in the discussion and
review process if they wish. Any committer may request that the review period be
extended if they are unable to review the change within 36 hours.
During review, a committer may request that a specific contributor who is most
versed in a particular area review the PR before it can be merged.
A pull request can be merged by any committer, but only if no objections are
raised by any other committer. In the case of an objection being raised, all
involved committers should seek consensus through discussion and compromise.
In the case of an objection being raised in a pull request by another committer,
all involved committers should seek to arrive at a consensus by way of
addressing concerns being expressed through discussion, compromise on the
proposed change, or withdrawal of the proposed change.
If objections to a PR are made and committers cannot reach a consensus on how to
proceed, the decision is escalated to the TC. TC members should regularly
discuss pending contributions in order to find a resolution. It is expected that
only a small minority of issues be brought to the TC for resolution and that
discussion and compromise among committers be the default resolution mechanism.
Becoming a Committer
--------------------
All contributors who make a non-trivial contribution will be added as a
committer in a timely manner. Committers are expected to follow this policy.
TC Process
----------
Any issues brought to the TC will be addressed among the committee with a
consensus-seeking process. The group tries to find a resolution that has no
objections among TC members. If a consensus cannot be reached, the Project Lead
has the ultimate authority to make a final decision. It is expected that the
majority of decisions made by the TC are via a consensus seeking process and
that the Project Lead intercedes only as a last resort.
Resolution may involve returning the issue to committers with suggestions on how
to move forward towards a consensus.
Members can be added to the TC at any time. Any committer can nominate another
committer to the TC and the TC uses its standard consensus seeking process to
evaluate whether or not to add this new member. Members who do not participate
consistently at the level of a majority of the other members are expected to
resign.
In the event that the Project Lead resigns or otherwise steps down, the TC uses
a consensus seeking process to choose a new Project Lead.
Leadership Team
---------------
The TC consists of the following individuals:
- `Paul Romano <https://github.com/paulromano>`_
- `Sterling Harper <https://github.com/smharper>`_
- `Adam Nelson <https://github.com/nelsonag>`_
- `Benoit Forget <https://github.com/bforget>`_
The Project Lead is Paul Romano.
Next Steps
----------
If you are interested in working on a specific feature or helping to address
outstanding issues, consider joining the developer's `mailing list
<https://groups.google.com/forum/#!forum/openmc-dev>`_ and/or `Slack community
<https://openmc.slack.com/signup>`_. Note that some issues have specifically
been labeled as good for `first-time contributors
<https://github.com/openmc-dev/openmc/issues?q=is%3Aopen+is%3Aissue+label%3AFirst-Timers-Only>`_.
Once you're at the point of writing code, make sure your read through the
:ref:`devguide_workflow` section to understand the mechanics of making pull
requests and what is expected during code reviews.

39
docs/source/devguide/docbuild.rst
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@ -5,33 +5,28 @@ Building Sphinx Documentation
=============================
In order to build the documentation in the ``docs`` directory, you will need to
have the Sphinx_ third-party Python package. The easiest way to install Sphinx
is via pip:
have the `Sphinx <https://www.sphinx-doc.org/en/master/>`_ third-party Python
package. The easiest way to install Sphinx is via pip:
.. code-block:: sh
sudo pip install sphinx
pip install sphinx
Additionally, you will also need two Sphinx extensions for TikZ support and
numbering figures. The sphinxcontrib-tikz_ package should be installed directly
from the git repository as such:
Additionally, you will need several Sphinx extensions that can be installed
directly with pip:
.. code-block:: sh
sudo pip install https://bitbucket.org/philexander/tikz/get/HEAD.tar.gz
The Numfig_ package can be installed directly with pip:
.. code-block:: sh
sudo pip install sphinx-numfig
pip install sphinx-numfig
pip install sphinxcontrib-katex
pip install sphinxcontrib-svg2pdfconverter
-----------------------------------
Building Documentation as a Webpage
-----------------------------------
To build the documentation as a webpage (what appears at
http://mit-crpg.github.io/openmc), simply go to the ``docs`` directory and run:
https://docs.openmc.org), simply go to the ``docs`` directory and run:
.. code-block:: sh
@ -42,21 +37,9 @@ Building Documentation as a PDF
-------------------------------
To build PDF documentation, you will need to have a LaTeX distribution installed
on your computer as well as Inkscape_, which is used to convert .svg files to
.pdf files. Inkscape can be installed in a Debian-derivative with:
.. code-block:: sh
sudo apt-get install inkscape
One the pre-requisites are installed, simply go to the ``docs`` directory and
run:
on your computer. Once you have a LaTeX distribution installed, simply go to the
``docs`` directory and run:
.. code-block:: sh
make latexpdf
.. _Sphinx: http://sphinx-doc.org
.. _sphinxcontrib-tikz: https://bitbucket.org/philexander/tikz
.. _Numfig: https://pypi.python.org/pypi/sphinx_numfig
.. _Inkscape: https://inkscape.org

56
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@ -0,0 +1,56 @@
.. _devguide_docker:
======================
Deployment with Docker
======================
OpenMC can be easily deployed using `Docker <https://www.docker.com/>`_ on any
Windows, Mac or Linux system. With Docker running, execute the following
command in the shell to build a `Docker image`_ called ``debian/openmc:latest``:
.. code-block:: sh
docker build -t debian/openmc:latest https://github.com/openmc-dev/openmc.git#develop
.. note:: This may take 5 -- 10 minutes to run to completion.
This command will execute the instructions in OpenMC's ``Dockerfile`` to
build a Docker image with OpenMC installed. The image includes OpenMC with
MPICH and parallel HDF5 in the ``/opt/openmc`` directory, and
`Miniconda3 <https://conda.io/miniconda.html>`_ with all of the Python
pre-requisites (NumPy, SciPy, Pandas, etc.) installed. The
`NJOY2016 <https://www.njoy21.io/NJOY2016/>`_ codebase is installed in
``/opt/NJOY2016`` to support full functionality and testing of the
``openmc.data`` Python module. The publicly available nuclear data libraries
necessary to run OpenMC's test suite -- including NNDC and WMP cross sections
and ENDF data -- are in the ``/opt/openmc/data directory``, and the
corresponding :envvar:`OPENMC_CROSS_SECTIONS`,
:envvar:`OPENMC_MULTIPOLE_LIBRARY`, and :envvar:`OPENMC_ENDF_DATA`
environment variables are initialized.
After building the Docker image, you can run the following to see the names of
all images on your machine, including ``debian/openmc:latest``:
.. code-block:: sh
docker image ls
Now you can run the following to create a `Docker container`_ called
``my_openmc`` based on the ``debian/openmc:latest`` image:
.. code-block:: sh
docker run -it --name=my_openmc debian/openmc:latest
This command will open an interactive shell running from within the
Docker container where you have access to use OpenMC.
.. note:: The ``docker run`` command supports many
`options <https://docs.docker.com/engine/reference/commandline/run/>`_
for spawning containers -- including `mounting volumes`_ from the
host filesystem -- which many users will find useful.
.. _Docker image: https://docs.docker.com/engine/reference/commandline/images/
.. _Docker container: https://www.docker.com/resources/what-container
.. _options: https://docs.docker.com/engine/reference/commandline/run/
.. _mounting volumes: https://docs.docker.com/storage/volumes/

16
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@ -4,16 +4,18 @@
Developer's Guide
=================
Welcome to the OpenMC Developer's Guide! This guide documents and explains the
structure of the OpenMC source code and how to do various development tasks such
as debugging.
Welcome to the OpenMC Developer's Guide! This guide documents how contributions
are made to OpenMC, what style rules exist for the code, how to run tests, and
other related topics.
.. toctree::
:numbered:
:maxdepth: 3
:maxdepth: 2
structures
styleguide
contributing
workflow
xml-parsing
styleguide
tests
user-input
docbuild
docker

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@ -1,155 +0,0 @@
.. _devguide_structures:
===============
Data Structures
===============
The purpose of this section is to give you an overview of the major data
structures in OpenMC and how they are logically related. A majority of variables
in OpenMC are `derived types`_ (similar to a struct in C). These derived types
are defined in the various header modules, e.g. src/geometry_header.F90. Most
important variables are found in the `global module`_. Have a look through that
module to get a feel for what variables you'll often come across when looking at
OpenMC code.
--------
Particle
--------
Perhaps the variable that you will see most often is simply called ``p`` and is
of type(Particle). This variable stores information about a particle's physical
characteristics (coordinates, direction, energy), what cell and material it's
currently in, how many collisions it has undergone, etc. In practice, only one
particle is followed at a time so there is no array of type(Particle). The
Particle type is defined in the `particle_header module`_.
You will notice that the direction and angle of the particle is stored in a
linked list of type(LocalCoord). In geometries with multiple :ref:`universes`,
the coordinates in each universe are stored in this linked list. If universes or
lattices are not used in a geometry, only one LocalCoord is present in the
linked list.
The LocalCoord type has a component called cell which gives the index in the
``cells`` array in the `global module`_. The ``cells`` array is of type(Cell)
and stored information about each region defined by the user.
----
Cell
----
The Cell type is defined in the `geometry_header module`_ along with other
geometry-related derived types. Each cell in the problem is described in terms
of its bounding surfaces, which are listed on the ``surfaces`` component. The
absolute value of each item in the ``surfaces`` component contains the index of
the corresponding surface in the ``surfaces`` array defined in the `global
module`_. The sign on each item in the ``surfaces`` component indicates whether
the cell exists on the positive or negative side of the surface (see
:ref:`methods_geometry`).
Each cell can either be filled with another universe/lattice or with a
material. If it is filled with a material, the ``material`` component gives the
index of the material in the ``materials`` array defined in the `global
module`_.
-------
Surface
-------
The Surface type is defined in the `geometry_header module`_. A surface is
defined by a type (sphere, cylinder, etc.) and a list of coefficients for that
surface type. The simplest example would be a plane perpendicular to the xy, yz,
or xz plane which needs only one parameter. The ``type`` component indicates the
type through integer parameters such as SURF_SPHERE or SURF_CYL_Y (these are
defined in the `constants module`_). The ``coeffs`` component gives the
necessary coefficients to parameterize the surface type (see
:ref:`surface_element`).
--------
Material
--------
The Material type is defined in the `material_header module`_. Each material
contains a number of nuclides at a given atom density. Each item in the
``nuclide`` component corresponds to the index in the global ``nuclides`` array
(as usual, found in the `global module`_). The ``atom_density`` component is the
same length as the ``nuclides`` component and lists the corresponding atom
density in atom/barn-cm for each nuclide in the ``nuclides`` component.
If the material contains nuclides for which binding effects are important in
low-energy scattering, a :math:`S(\alpha,\beta)` can be associated with that
material through the ``sab_table`` component. Again, this component contains the
index in the ``sab_tables`` array from the `global module`_.
-------
Nuclide
-------
The Nuclide derived type stores cross section and interaction data for a nucleus
and is defined in the `ace_header module`_. The ``energy`` component is an array
that gives the discrete energies at which microscopic cross sections are
tabulated. The actual microscopic cross sections are stored in a separate
derived type, Reaction. An arrays of Reactions is present in the ``reactions``
component. There are a few summary microscopic cross sections stored in other
components, such as ``total``, ``elastic``, ``fission``, and ``nu_fission``.
If a Nuclide is fissionable, the prompt and delayed neutron yield and energy
distributions are also stored on the Nuclide type. Many nuclides also have
unresolved resonance probability table data. If present, this data is stored in
the component ``urr_data`` of derived type UrrData. A complete description of
the probability table method is given in :ref:`probability_tables`.
The list of nuclides present in a problem is stored in the ``nuclides`` array
defined in the `global module`_.
----------
SAlphaBeta
----------
The SAlphaBeta derived type stores :math:`S(\alpha,\beta)` data to account for
molecular binding effects when treating thermal scattering. Each SAlphaBeta
table is associated with a specific nuclide as identified in the ``zaid``
component. A complete description of the :math:`S(\alpha,\beta)` treatment can
be found in :ref:`sab_tables`.
---------
XsListing
---------
The XsListing derived type stores information on the location of an ACE cross
section table based on the data in cross_sections.xml and is defined in the
`ace_header module`_. For each ``<ace_table>`` you see in cross_sections.xml,
there is a XsListing with its information. When the user input is read, the
array ``xs_listings`` in the `global module`_ that is of derived type XsListing
is used to locate the ACE data to parse.
--------------
NuclideMicroXS
--------------
The NuclideMicroXS derived type, defined in the `ace_header module`_, acts as a
'cache' for microscopic cross sections. As a particle is traveling through
different materials, cross sections can be reused if the energy of the particle
hasn't changed. The components ``total``, ``elastic``, ``absorption``,
``fission``, and ``nu_fission`` represent those microscopic cross sections at
the current energy of the particle for a given nuclide. An array ``micro_xs`` in
the `global module`_ that is the same length as the ``nuclides`` array stores
these cached cross sections for each nuclide in the problem.
---------------
MaterialMacroXS
---------------
In addition to the NuclideMicroXS type, there is also a MaterialMacroXS derived
type, defined in the `ace_header module`_ that stored cached *macroscopic* cross
sections for the current material. These macroscopic cross sections are used for
both physics and tallying purposes. The variable ``material_xs`` in the `global
module`_ is of type MaterialMacroXS.
.. _derived types: http://nf.nci.org.au/training/FortranAdvanced/slides/slides.025.html
.. _global module: https://github.com/mit-crpg/openmc/blob/master/src/global.F90
.. _particle_header module: https://github.com/mit-crpg/openmc/blob/master/src/particle_header.F90
.. _geometry_header module: https://github.com/mit-crpg/openmc/blob/master/src/geometry_header.F90
.. _constants module: https://github.com/mit-crpg/openmc/blob/master/src/constants.F90
.. _material_header module: https://github.com/mit-crpg/openmc/blob/master/src/material_header.F90
.. _ace_header module: https://github.com/mit-crpg/openmc/blob/master/src/ace_header.F90

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@ -8,152 +8,215 @@ In order to keep the OpenMC code base consistent in style, this guide specifies
a number of rules which should be adhered to when modified existing code or
adding new code in OpenMC.
-------
Fortran
-------
---
C++
---
General Rules
-------------
Conform to the Fortran 2008 standard.
Make sure code can be compiled with most common compilers, especially gfortran
and the Intel Fortran compiler. This supercedes the previous rule --- if a
Fortran 2003/2008 feature is not implemented in a common compiler, do not use
it.
Do not use special extensions that can be only be used from certain compilers.
In general, write your code in lower-case. Having code in all caps does not
enhance code readability or otherwise.
Always include comments to describe what your code is doing. Do not be afraid of
using copious amounts of comments.
Use <, >, <=, >=, ==, and /= rather than .lt., .gt., .le., .ge., .eq., and .ne.
Try to keep code within 80 columns when possible.
Don't use ``print *`` or ``write(*,*)``. If writing to a file, use a specific
unit. Writing to standard output or standard error should be handled by the
``write_message`` subroutine or functionality in the error module.
Procedures
----------
Above each procedure, include a comment block giving a brief description of what
the procedure does.
Nonpointer dummy arguments to procedures should be explicitly specified as
intent(in), intent(out), or intent(inout).
Include a comment describing what each argument to a procedure is.
Variables
---------
Never, under any circumstances, should implicit variables be used! Always
include ``implicit none`` and define all your variables.
Variable names should be all lower-case and descriptive, i.e. not a random
assortment of letters that doesn't give any information to someone seeing it for
the first time. Variables consisting of multiple words should be separated by
underscores, not hyphens or in camel case.
Constant (parameter) variables should be in ALL CAPITAL LETTERS and defined in
in the constants.F90 module.
32-bit reals (real(4)) should never be used. Always use 64-bit reals (real(8)).
For arbitrary length character variables, use the pre-defined lengths
MAX_LINE_LEN, MAX_WORD_LEN, and MAX_FILE_LEN if possible.
Do not use old-style character/array length (e.g. character*80, real*8).
Integer values being used to indicate a certain state should be defined as named
constants (see the constants.F90 module for many examples).
Always use a double colon :: when declaring a variable.
Yes:
.. code-block:: fortran
if (boundary_condition == BC_VACUUM) then
No:
.. code-block:: fortran
if (boundary_condition == -10) then
Avoid creating arrays with a pre-defined maximum length. Use dynamic memory
allocation instead. Use allocatable variables instead of pointer variables when
possible.
Shared/Module Variables
+++++++++++++++++++++++
Always put shared variables in modules. Access module variables through a
``use`` statement. Always use the ``only`` specifier on the ``use`` statement
except for variables from the global, constants, and various header modules.
Never use ``equivalence`` statements, ``common`` blocks, or ``data`` statements.
Derived Types and Classes
-------------------------
Derived types and classes should have CamelCase names with words not separated
by underscores or hyphens.
.. important:: To ensure consistent styling with little effort, this project
uses `clang-format <https://clang.llvm.org/docs/ClangFormat.html>`_. The
repository contains a ``.clang-format`` file that can be used to
automatically apply the style rules that are described below. The easiest
way to use clang-format is through a plugin/extension for your editor/IDE
that automatically runs clang-format using the ``.clang-format`` file
whenever a file is saved.
Indentation
-----------
Never use tab characters. Indentation should always be applied using
spaces. Emacs users should include the following line in their .emacs file:
Use two spaces per indentation level.
.. code-block:: common-lisp
Miscellaneous
-------------
(setq-default indent-tabs-mode nil)
Follow the `C++ Core Guidelines`_ except when they conflict with another
guideline listed here. For convenience, many important guidelines from that
list are repeated here.
vim users should include the following line in their .vimrc file::
Conform to the C++14 standard.
set expandtab
Always use C++-style comments (``//``) as opposed to C-style (``/**/``). (It
is more difficult to comment out a large section of code that uses C-style
comments.)
Use 2 spaces per indentation level. This applies to all constructs such as
program, subroutine, function, if, associate, etc. Emacs users should set the
variables f90-if-indent, f90-do-indent, f90-continuation-indent,
f90-type-indent, f90-associate-indent, and f90-program indent to 2.
Do not use C-style casting. Always use the C++-style casts ``static_cast``,
``const_cast``, or ``reinterpret_cast``. (See `ES.49 <http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#es49-if-you-must-use-a-cast-use-a-named-cast>`_)
Continuation lines should be indented by at least 5 spaces. They may be indented
more in order to make the content match the context. For example, either of
these are valid continuation indentations:
Source Files
------------
.. code-block:: fortran
Use a ``.cpp`` suffix for code files and ``.h`` for header files.
local_xyz(1) = xyz(1) - (this % lower_left(1) + &
(i_xyz(1) - HALF)*this % pitch(1))
call which_data(scatt_type, get_scatt, get_nuscatt, get_chi_t, get_chi_p, &
get_chi_d, scatt_order)
Header files should always use include guards with the following style (See
`SF.8 <http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#sf8-use-include-guards-for-all-h-files>`_):
Whitespace in Expressions
-------------------------
.. code-block:: C++
Use a single space between arguments to procedures.
#ifndef OPENMC_MODULE_NAME_H
#define OPENMC_MODULE_NAME_H
Avoid extraneous whitespace in the following situations:
namespace openmc {
...
content
...
}
- In procedure calls::
#endif // OPENMC_MODULE_NAME_H
Yes: call somesub(x, y(2), z)
No: call somesub( x, y( 2 ), z )
Avoid hidden dependencies by always including a related header file first,
followed by C/C++ library includes, other library includes, and then local
includes. For example:
- In logical expressions, use one space around operators but nowhere else::
.. code-block:: C++
Yes: if (variable == 2) then
No: if ( variable==2 ) then
// foo.cpp
#include "foo.h"
Do not leave trailing whitespace at the end of a line.
#include <cstddef>
#include <iostream>
#include <vector>
#include "hdf5.h"
#include "pugixml.hpp"
#include "error.h"
#include "random_lcg.h"
Naming
------
Struct and class names should be CamelCase, e.g. ``HexLattice``.
Functions (including member functions) should be lower-case with underscores,
e.g. ``get_indices``.
Local variables, global variables, and struct/class member variables should be
lower-case with underscores (e.g., ``n_cells``) except for physics symbols that
are written differently by convention (e.g., ``E`` for energy). Data members of
classes (but not structs) additionally have trailing underscores (e.g.,
``a_class_member_``).
The following conventions are used for variables with short names:
- ``d`` stands for "distance"
- ``E`` stands for "energy"
- ``p`` stands for "particle"
- ``r`` stands for "position"
- ``rx`` stands for "reaction"
- ``u`` stands for "direction"
- ``xs`` stands for "cross section"
All classes and non-member functions should be declared within the ``openmc``
namespace. Global variables must be declared in a namespace nested within the
``openmc`` namespace. The following sub-namespaces are in use:
- ``openmc::data``: Fundamental nuclear data (cross sections, multigroup data,
decay constants, etc.)
- ``openmc::model``: Variables related to geometry, materials, and tallies
- ``openmc::settings``: Global settings / options
- ``openmc::simulation``: Variables used only during a simulation
Accessors and mutators (get and set functions) may be named like
variables. These often correspond to actual member variables, but this is not
required. For example, ``int count()`` and ``void set_count(int count)``.
Variables declared constexpr or const that have static storage duration (exist
for the duration of the program) should be upper-case with underscores,
e.g., ``SQRT_PI``.
Use C++-style declarator layout (see `NL.18
<http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#nl18-use-c-style-declarator-layout>`_):
pointer and reference operators in declarations should be placed adject to the
base type rather than the variable name. Avoid declaring multiple names in a
single declaration to avoid confusion:
.. code-block:: C++
T* p; // good
T& p; // good
T *p; // bad
T* p, q; // misleading
Curly braces
------------
For a class declaration, the opening brace should be on the same line that
lists the name of the class.
.. code-block:: C++
class Matrix {
...
};
For a function definition, the opening and closing braces should each be on
their own lines. This helps distinguish function code from the argument list.
If the entire function fits on one or two lines, then the braces can be on the
same line. e.g.:
.. code-block:: C++
return_type function(type1 arg1, type2 arg2)
{
content();
}
return_type
function_with_many_args(type1 arg1, type2 arg2, type3 arg3,
type4 arg4)
{
content();
}
int return_one() {return 1;}
int return_one()
{return 1;}
For a conditional, the opening brace should be on the same line as the end of
the conditional statement. If there is a following ``else if`` or ``else``
statement, the closing brace should be on the same line as that following
statement. Otherwise, the closing brace should be on its own line. A one-line
conditional can have the closing brace on the same line or it can omit the
braces entirely e.g.:
.. code-block:: C++
if (condition) {
content();
}
if (condition1) {
content();
} else if (condition 2) {
more_content();
} else {
further_content();
}
if (condition) {content()};
if (condition) content();
For loops similarly have an opening brace on the same line as the statement and
a closing brace on its own line. One-line loops may have the closing brace on
the same line or omit the braces entirely.
.. code-block:: C++
for (int i = 0; i < 5; i++) {
content();
}
for (int i = 0; i < 5; i++) {content();}
for (int i = 0; i < 5; i++) content();
Documentation
-------------
Classes, structs, and functions are to be annotated for the `Doxygen
<http://www.doxygen.nl/>`_ documentation generation tool. Use the ``\`` form of
Doxygen commands, e.g., ``\brief`` instead of ``@brief``.
------
Python
@ -163,14 +226,24 @@ Style for Python code should follow PEP8_.
Docstrings for functions and methods should follow numpydoc_ style.
Python code should work with both Python 2.7+ and Python 3.0+.
Python code should work with Python 3.4+.
Use of third-party Python packages should be limited to numpy_, scipy_, and
h5py_. Use of other third-party packages must be implemented as optional
dependencies rather than required dependencies.
Use of third-party Python packages should be limited to numpy_, scipy_,
matplotlib_, pandas_, and h5py_. Use of other third-party packages must be
implemented as optional dependencies rather than required dependencies.
Prefer pathlib_ when working with filesystem paths over functions in the os_
module or other standard-library modules. Functions that accept arguments that
represent a filesystem path should work with both strings and Path_ objects.
.. _C++ Core Guidelines: http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines
.. _PEP8: https://www.python.org/dev/peps/pep-0008/
.. _numpydoc: https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt
.. _numpy: http://www.numpy.org/
.. _scipy: http://www.scipy.org/
.. _h5py: http://www.h5py.org/
.. _numpydoc: https://numpydoc.readthedocs.io/en/latest/format.html
.. _numpy: https://numpy.org/
.. _scipy: https://www.scipy.org/
.. _matplotlib: https://matplotlib.org/
.. _pandas: https://pandas.pydata.org/
.. _h5py: https://www.h5py.org/
.. _pathlib: https://docs.python.org/3/library/pathlib.html
.. _os: https://docs.python.org/3/library/os.html
.. _Path: https://docs.python.org/3/library/pathlib.html#pathlib.Path

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@ -0,0 +1,89 @@
.. _devguide_tests:
==========
Test Suite
==========
The OpenMC test suite consists of two parts, a regression test suite and a unit
test suite. The regression test suite is based on regression or integrated
testing where different types of input files are configured and the full OpenMC
code is executed. Results from simulations are compared with expected
results. The unit tests are primarily intended to test individual
functions/classes in the OpenMC Python API.
Prerequisites
-------------
- The test suite relies on the third-party `pytest <https://pytest.org>`_
package. To run either or both the regression and unit test suites, it is
assumed that you have OpenMC fully installed, i.e., the :ref:`scripts_openmc`
executable is available on your :envvar:`PATH` and the :mod:`openmc` Python
module is importable. In development where it would be onerous to continually
install OpenMC every time a small change is made, it is recommended to install
OpenMC in development/editable mode. With setuptools, this is accomplished by
running::
python setup.py develop
or using pip (recommended)::
pip install -e .[test]
- The test suite requires a specific set of cross section data in order for
tests to pass. A download URL for the data that OpenMC expects can be found
within ``tools/ci/download-xs.sh``.
- In addition to the HDF5 data, some tests rely on ENDF files. A download URL
for those can also be found in ``tools/ci/download-xs.sh``.
- Some tests require `NJOY <https://www.njoy21.io/NJOY2016>`_ to preprocess
cross section data. The test suite assumes that you have an ``njoy``
executable available on your :envvar:`PATH`.
Running Tests
-------------
To execute the test suite, go to the ``tests/`` directory and run::
pytest
If you want to collect information about source line coverage in the Python API,
you must have the `pytest-cov <https://pypi.python.org/pypi/pytest-cov>`_ plugin
installed and run::
pytest --cov=../openmc --cov-report=html
Generating XML Inputs
---------------------
Many of the regression tests rely on the Python API to build an appropriate
model. However, it can sometimes be desirable to work directly with the XML
input files rather than having to run a script in order to run the problem/test.
To build the input files for a test without actually running the test, you can
run::
pytest --build-inputs <name-of-test>
Adding Tests to the Regression Suite
------------------------------------
To add a new test to the regression test suite, create a sub-directory in the
``tests/regression_tests/`` directory. To configure a test you need to add the
following files to your new test directory:
* OpenMC input XML files, if they are not generated through the Python API
* **test.py** - Python test driver script; please refer to other tests to
see how to construct. Any output files that are generated during testing
must be removed at the end of this script.
* **inputs_true.dat** - ASCII file that contains Python API-generated XML
files concatenated together. When the test is run, inputs that are
generated are compared to this file.
* **results_true.dat** - ASCII file that contains the expected results from
the test. The file *results_test.dat* is compared to this file during the
execution of the python test driver script. When the above files have been
created, generate a *results_test.dat* file and copy it to this name and
commit. It should be noted that this file should be generated with basic
compiler options during openmc configuration and build (e.g., no MPI, no
debug/optimization).
In addition to this description, please see the various types of tests that are
already included in the test suite to see how to create them. If all is
implemented correctly, the new test will automatically be discovered by pytest.

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@ -0,0 +1,71 @@
.. _devguide_user_input:
=========================
Making User Input Changes
=========================
Users are encouraged to use OpenMC's :ref:`pythonapi` to build XML files that
the OpenMC solver then reads during the initialization phase. Thus, to modify,
add, or remove user input options, changes must be made both within the Python
API and the C++ source that reads XML files produced by the Python API. The
following steps should be followed to make changes to user input:
1. Determine the Python class you need to change. For example, if you are adding
a new setting, you probably want to change the :class:`openmc.Settings`
class. If you are adding a new surface type, you would need to create a
subclass of :class:`openmc.Surface`.
2. To add a new option, the class will need a `property attribute`_. For
example, if you wanted to add a "fast_mode" setting, you would need two
methods that look like:
.. code-block:: python
@property
def fast_mode(self):
...
@fast_mode.setter
def fast_mode(self, fast_mode):
...
3. Make sure that when an instance of the class is exported to XML (usually
through a ``export_to_xml()`` or ``to_xml_element()`` method), a new element
is written to the appropriate file. OpenMC uses the
:mod:`xml.etree.ElementTree` API, so refer to the documentation of that
module for guidance on creating elements/attributes.
4. Make sure that your input can be categorized as one of the datatypes from
`XML Schema Part 2`_ and that parsing of the data appropriately reflects
this. For example, for a boolean_ value, true can be represented either by
"true" or by "1".
5. Now that you're done with the Python side, you need to make modifications to
the C++ codebase. Make appropriate changes in source files (e.g.,
settings.cpp). You should use convenience functions defined by
xml_interface.cpp.
6. If you've made changes in the geometry or materials, make sure they are
written out to the statepoint or summary files and that the
:class:`openmc.StatePoint` and :class:`openmc.Summary` classes read them in.
7. Finally, a set of `RELAX NG`_ schemas exists that enables validation of input
files. You should modify the RELAX NG schema for the file you changed. The
easiest way to do this is to change the `compact syntax`_ file
(e.g. ``src/relaxng/geometry.rnc``) and then convert it to regular XML syntax
using trang_::
trang geometry.rnc geometry.rng
For most user input additions and changes, it is simple enough to follow a
"monkey see, monkey do" approach. When in doubt, contact your nearest OpenMC
developer or send a message to the `developers mailing list`_.
.. _property attribute: https://docs.python.org/3.6/library/functions.html#property
.. _XML Schema Part 2: http://www.w3.org/TR/xmlschema-2/
.. _boolean: http://www.w3.org/TR/xmlschema-2/#boolean
.. _RELAX NG: http://relaxng.org/
.. _compact syntax: http://relaxng.org/compact-tutorial-20030326.html
.. _trang: http://www.thaiopensource.com/relaxng/trang.html
.. _developers mailing list: https://groups.google.com/forum/?fromgroups=#!forum/openmc-dev

187
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@ -22,13 +22,11 @@ ongoing development takes place prior to a release and is not guaranteed to be
stable. When the development team decides that a release should occur, the
*develop* branch is merged into *master*.
Trivial changes to the code may be committed directly to the *develop* branch by
a trusted developer. However, most new features should be developed on a branch
All new features, enhancements, and bug fixes should be developed on a branch
that branches off of *develop*. When the feature is completed, a `pull request`_
is initiated on GitHub that is then reviewed by a trusted developer. If the pull
request is satisfactory, it is then merged into *develop*. Note that a trusted
developer may not review their own pull request (i.e., an independent code
review is required).
is initiated on GitHub that is then reviewed by a committer. If the pull request
is satisfactory, it is then merged into *develop*. Note that a committer may not
review their own pull request (i.e., an independent code review is required).
Code Review Criteria
--------------------
@ -37,10 +35,9 @@ In order to be considered suitable for inclusion in the *develop* branch, the
following criteria must be satisfied for all proposed changes:
- Changes have a clear purpose and are useful.
- Compiles under all conditions (MPI, OpenMP, HDF5, etc.). This is checked as
part of the test suite.
- Passes the regression suite.
- If appropriate, test cases are added to regression suite.
- Compiles and passes all tests under multiple build configurations (This is
checked by Travis CI).
- If appropriate, test cases are added to regression or unit test suites.
- No memory leaks (checked with valgrind_).
- Conforms to the OpenMC `style guide`_.
- No degradation of performance or greatly increased memory usage. This is not a
@ -53,10 +50,10 @@ Contributing
------------
Now that you understand the basic development workflow, let's discuss how an
individual to contribute to development. Note that this would apply to both new
individual can contribute to development. Note that this would apply to both new
features and bug fixes. The general steps for contributing are as follows:
1. Fork the main openmc repository from `mit-crpg/openmc`_. This will create a
1. Fork the main openmc repository from `openmc-dev/openmc`_. This will create a
repository with the same name under your personal account. As such, you can
commit to it as you please without disrupting other developers.
@ -66,7 +63,7 @@ features and bug fixes. The general steps for contributing are as follows:
.. code-block:: sh
git clone git@github.com:yourusername/openmc.git
git clone --recurse-submodules git@github.com:yourusername/openmc.git
cd openmc
git checkout -b newbranch develop
@ -75,144 +72,18 @@ features and bug fixes. The general steps for contributing are as follows:
ensure that those changes are made on a different branch.
4. Issue a pull request from GitHub and select the *develop* branch of
mit-crpg/openmc as the target.
.. image:: ../_images/pullrequest.png
openmc-dev/openmc as the target.
At a minimum, you should describe what the changes you've made are and why
you are making them. If the changes are related to an oustanding issue, make
sure it is cross-referenced. A wise developer would also check whether their
changes do indeed pass the regression test suite.
sure it is cross-referenced.
5. A trusted developer will review your pull request based on the criteria
5. A committer will review your pull request based on the criteria
above. Any issues with the pull request can be discussed directly on the pull
request page itself.
6. After the pull request has been thoroughly vetted, it is merged back into the
*develop* branch of mit-crpg/openmc.
.. _test suite:
OpenMC Test Suite
-----------------
The purpose of this test suite is to ensure that OpenMC compiles using various
combinations of compiler flags and options, and that all user input options can
be used successfully without breaking the code. The test suite is comprised of
regression tests where different types of input files are configured and the
full OpenMC code is executed. Results from simulations are compared with
expected results. The test suite is comprised of many build configurations
(e.g. debug, mpi, hdf5) and the actual tests which reside in sub-directories
in the tests directory. We recommend to developers to test their branches
before submitting a formal pull request using gfortran and intel compilers
if available.
The test suite is designed to integrate with cmake using ctest_.
It is configured to run with cross sections from NNDC_. To
download these cross sections please do the following:
.. code-block:: sh
cd ../data
python get_nndc_data.py
export CROSS_SECTIONS=<path_to_data_folder>/nndc/cross_sections.xml
The test suite can be run on an already existing build using:
.. code-block:: sh
cd build
make test
or
.. code-block:: sh
cd build
ctest
There are numerous ctest_ command line options that can be set to have
more control over which tests are executed.
Before running the test suite python script, the following environmental
variables should be set if the default paths are incorrect:
* **FC** - The command of the Fortran compiler (e.g. gfotran, ifort).
* Default - *gfortran*
* **MPI_DIR** - The path to the MPI directory.
* Default - */opt/mpich/3.1.3-gnu*
* **HDF5_DIR** - The path to the HDF5 directory.
* Default - */opt/hdf5/1.8.14-gnu*
* **PHDF5_DIR** - The path to the parallel HDF5 directory.
* Default - */opt/phdf5/1.8.14-gnu*
To run the full test suite, the following command can be executed in the
tests directory:
.. code-block:: sh
python run_tests.py
A subset of build configurations and/or tests can be run. To see how to use
the script run:
.. code-block:: sh
python run_tests.py --help
As an example, say we want to run all tests with debug flags only on tests
that have cone and plot in their name. Also, we would like to run this on
4 processors. We can run:
.. code-block:: sh
python run_tests.py -j 4 -C debug -R "cone|plot"
Note that standard regular expression syntax is used for selecting build
configurations and tests. To print out a list of build configurations, we
can run:
.. code-block:: sh
python run_tests.py -p
Adding tests to test suite
++++++++++++++++++++++++++
To add a new test to the test suite, create a sub-directory in the tests
directory that conforms to the regular expression *test_*. To configure
a test you need to add the following files to your new test directory,
*test_name* for example:
* OpenMC input XML files
* **test_name.py** - python test driver script, please refer to other
tests to see how to construct. Any output files that are generated
during testing must be removed at the end of this script.
* **results.py** - python script that extracts results from statepoint
output files. By default it should look for a binary file, but can
take an argument to overwrite which statepoint file is processed,
whether it is at a different batch or with an HDF5 extension. This
script must output a results file that is named *results_test.dat*.
It is recommended that any real numbers reported use *12.6E* format.
* **results_true.dat** - ASCII file that contains the expected results
from the test. The file *results_test.dat* is compared to this file
during the execution of the python test driver script. When the
above files have been created, generate a *results_test.dat* file and
copy it to this name and commit. It should be noted that this file
should be generated with basic compiler options during openmc
configuration and build (e.g., no MPI/HDF5, no debug/optimization).
In addition to this description, please see the various types of tests that
are already included in the test suite to see how to create them. If all is
implemented correctly, the new test directory will automatically be added
to the CTest framework.
*develop* branch of openmc-dev/openmc.
Private Development
-------------------
@ -224,18 +95,38 @@ create a complete copy of the OpenMC repository (not a fork from GitHub). The
private repository can then either be stored just locally or in conjunction with
a private repository on Github (this requires a `paid plan`_). Alternatively,
`Bitbucket`_ offers private repositories for free. If you want to merge some
changes you've made in your private repository back to mit-crpg/openmc
changes you've made in your private repository back to openmc-dev/openmc
repository, simply follow the steps above with an extra step of pulling a branch
from your private repository into a public fork.
.. _devguide_editable:
Working in "Development" Mode
-----------------------------
If you are making changes to the Python API during development, it is highly
suggested to install the Python API in development/editable mode using
pip_. From the root directory of the OpenMC repository, run:
.. code-block:: sh
pip install -e .[test]
This installs the OpenMC Python package in `"editable" mode
<https://pip.pypa.io/en/stable/reference/pip_install/#editable-installs>`_ so
that 1) it can be imported from a Python interpreter and 2) any changes made are
immediately reflected in the installed version (that is, you don't need to keep
reinstalling it). While the same effect can be achieved using the
:envvar:`PYTHONPATH` environment variable, this is generally discouraged as it
can interfere with virtual environments.
.. _git: http://git-scm.com/
.. _GitHub: https://github.com/
.. _git flow: http://nvie.com/git-model
.. _valgrind: http://valgrind.org/
.. _style guide: http://mit-crpg.github.io/openmc/devguide/styleguide.html
.. _style guide: https://docs.openmc.org/en/latest/devguide/styleguide.html
.. _pull request: https://help.github.com/articles/using-pull-requests
.. _mit-crpg/openmc: https://github.com/mit-crpg/openmc
.. _openmc-dev/openmc: https://github.com/openmc-dev/openmc
.. _paid plan: https://github.com/plans
.. _Bitbucket: https://bitbucket.org
.. _ctest: http://www.cmake.org/cmake/help/v2.8.12/ctest.html
.. _NNDC: http://http://www.nndc.bnl.gov/endf/b7.1/acefiles.html
.. _pip: https://pip.pypa.io/en/stable/

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@ -1,118 +0,0 @@
.. _devguide_xml-parsing:
=================
XML Input Parsing
=================
OpenMC relies on the FoX_ Fortran XML library for reading and intrepreting the
XML input files for geometry, materials, settings, tallies, etc. The use of an
XML format makes writing input files considerably more flexible than would
otherwise be possible.
With the FoX library, extending the user input files to include new tags is
fairly straightforward. The steps for modifying/adding input are as follows:
1. Add appropriate calls to procedures from the `xml_interface module`_, such as
``check_for_node``, ``get_node_value``, and ``get_node_array``. All input
reading is performed in the `input_xml module`_.
2. Make sure that your input can be categorized as one of the datatypes from
`XML Schema Part 2`_ and that parsing of the data appropriately reflects
this. For example, for a boolean_ value, true can be represented either by
"true" or by "1".
3. Add code to check the variable for any possible errors.
A set of `RELAX NG`_ schemata exists that enables real-time validation of input
files when using the GNU Emacs text editor. You should also modify the RELAX NG
schema for the file you changed (e.g. src/relaxng/geometry.rnc) so that
those who use Emacs can confirm whether their input is valid before they
run. You will need to be familiar with RELAX NG `compact syntax`_.
Working with the FoX Submodule
==============================
The FoX_ library is included as a submodule_ in OpenMC. This means that for a
given commit in OpenMC, there is an associated commit id that links to FoX.
The actual FoX source code is maintained at mit-crpg/fox, branch openmc. When
cloning the OpenMC repo for the first time, you will notice that the directory
*src/xml/fox* is empty. To fetch the submodule source code, you can manually
enter the following from the root directory of OpenMC:
.. code-block:: sh
git submodule init
git submodule update
It should be noted that if the submodule is not initialized and updated, *cmake*
will automatically perform these commands if it cannot file the FoX source code.
If you navigate into the FoX source code in OpenMC, src/xml/fox, and check git
information, you will notice that you are in a completely different repo. Actually,
you are in a clone of mit-crpg/fox. If you have write access to this repo, you can
make changes to the FoX source code, commit and push just like any other repo.
Just because you make changes to the FoX source code in OpenMC or in a standalone
repo, this does not mean that OpenMC will automatically fetch these changes. The
way submodules work is that they are just stored as a commit id. To save FoX xml
source changes to your OpenMC branch, do the following:
1. Go into src/xml/fox and check out the appropriate source code state
2. Navigate back out of fox subdirectory and type:
.. code-block:: sh
git status
3. Make sure you see that git recognized that the state of FoX changed:
::
# On branch fox_submodule
# Changes not staged for commit:
# (use "git add <file>..." to update what will be committed)
# (use "git checkout -- <file>..." to discard changes in working directory)
#
# modified: fox (new commits)
4. Commit and push this change
Editing FoX on Personal Fork
============================
If you don't have write access to mit-crpg/fox and thus can't make a branch off of the openmc
branch there, you will need to fork mit-crpg/fox to your personal account. You need to then
link your branch in your OpenMC repo, to the *openmc* branch on your own personal FoX fork.
To do this, edit the *.gitmodules* file in the root folder of the repo. It contains the
following information:
::
[submodule "src/xml/fox"]
path = src/xml/fox
url = git@github.com:mit-crpg/fox
Change the url remote to your own fork. The commit id should stay constant until you start
making modification to FoX yourself. Once you have made changes to your FoX fork and linked
the new commit id to your OpenMC branch, you can pull request your changes in by peforming
the following steps:
1. Create a pull request from your fork of FoX to mit-crpg/fox and wait until it
is merged into the openmc branch.
2. In your OpenMC repo, change your *.gitmodules* file back to point at mit-crpg/fox.
3. Submit a pull request to mit-crpg/openmc
.. warning:: If you make changes to your FoX submodule inside of an OpenMC repo and do not
commit, do **not** run *git submodule update*. This may throw away any changes that
were not committed.
.. _FoX: https://github.com/mit-crpg/fox
.. _xml_interface module: https://github.com/mit-crpg/openmc/blob/develop/src/xml_interface.F90
.. _input_xml module: https://github.com/mit-crpg/openmc/blob/develop/src/input_xml.F90
.. _XML Schema Part 2: http://www.w3.org/TR/xmlschema-2/
.. _boolean: http://www.w3.org/TR/xmlschema-2/#boolean
.. _RELAX NG: http://relaxng.org/
.. _compact syntax: http://relaxng.org/compact-tutorial-20030326.html
.. _submodule: http://git-scm.com/book/en/Git-Tools-Submodules

474
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@ -0,0 +1,474 @@
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"This notebook shows how to use the OpenMC C/C++ API through the openmc.lib module. This module is particularly useful for multiphysics coupling because it allows you to update the density of materials and the temperatures of cells in memory, without stopping the simulation.\n",
"\n",
"Warning: these bindings are still somewhat experimental and may be subject to change in future versions of OpenMC."
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {},
"outputs": [],
"source": [
"%matplotlib inline\n",
"import openmc\n",
"import openmc.lib"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"<b>Generate Input Files</b>\n",
"\n",
"Let's start by creating a fuel rod geometry. We will make 10 zones in the z-direction which will allow us to make changes to each zone. Changes in temperature have to be made on the cell, so will make 10 cells in the axial direction. Changes in density have to be made on the material, so we will make 10 water materials. "
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Materials: we will make a fuel, helium, zircaloy, and 10 water materials. "
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {},
"outputs": [],
"source": [
"material_list = []"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"outputs": [],
"source": [
"uo2 = openmc.Material(material_id=1, name='UO2 fuel at 2.4% wt enrichment')\n",
"uo2.set_density('g/cm3', 10.29769)\n",
"uo2.add_element('U', 1., enrichment=2.4)\n",
"uo2.add_element('O', 2.)\n",
"material_list.append(uo2)\n",
"\n",
"helium = openmc.Material(material_id=2, name='Helium for gap')\n",
"helium.set_density('g/cm3', 0.001598)\n",
"helium.add_element('He', 2.4044e-4)\n",
"material_list.append(helium)\n",
"\n",
"zircaloy = openmc.Material(material_id=3, name='Zircaloy 4')\n",
"zircaloy.set_density('g/cm3', 6.55)\n",
"zircaloy.add_element('Sn', 0.014, 'wo')\n",
"zircaloy.add_element('Fe', 0.00165, 'wo')\n",
"zircaloy.add_element('Cr', 0.001, 'wo')\n",
"zircaloy.add_element('Zr', 0.98335, 'wo')\n",
"material_list.append(zircaloy)\n",
"\n",
"for i in range(4, 14):\n",
" water = openmc.Material(material_id=i)\n",
" water.set_density('g/cm3', 0.7)\n",
" water.add_element('H', 2.0)\n",
" water.add_element('O', 1.0)\n",
" water.add_s_alpha_beta('c_H_in_H2O')\n",
" material_list.append(water)\n",
" \n",
"materials_file = openmc.Materials(material_list)\n",
"materials_file.export_to_xml()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Cells: we will make a fuel cylinder, a gap cylinder, a cladding cylinder, and a water exterior. Each one will be broken into 10 cells which are the 10 axial zones. The z_list is the list of axial positions that delimit those 10 zones. To keep track of all the cells, we will create lists: fuel_list, gap_list, clad_list, and water_list. "
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {},
"outputs": [],
"source": [
"pitch = 1.25984\n",
"fuel_or = openmc.ZCylinder(r=0.39218)\n",
"clad_ir = openmc.ZCylinder(r=0.40005)\n",
"clad_or = openmc.ZCylinder(r=0.4572)\n",
"left = openmc.XPlane(x0=-pitch/2)\n",
"right = openmc.XPlane(x0=pitch/2)\n",
"back = openmc.YPlane(y0=-pitch/2)\n",
"front = openmc.YPlane(y0=pitch/2)\n",
"z = [0., 30., 60., 90., 120., 150., 180., 210., 240., 270., 300.]\n",
"z_list = [openmc.ZPlane(z0=z_i) for z_i in z]"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {},
"outputs": [],
"source": [
"left.boundary_type = 'reflective'\n",
"right.boundary_type = 'reflective'\n",
"front.boundary_type = 'reflective'\n",
"back.boundary_type = 'reflective'\n",
"z_list[0].boundary_type = 'vacuum'\n",
"z_list[-1].boundary_type = 'vacuum'"
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {},
"outputs": [],
"source": [
"fuel_list = []\n",
"gap_list = []\n",
"clad_list = []\n",
"water_list = []\n",
"for i in range(1, 11):\n",
" fuel_list.append(openmc.Cell(cell_id=i))\n",
" gap_list.append(openmc.Cell(cell_id=i+10))\n",
" clad_list.append(openmc.Cell(cell_id=i+20))\n",
" water_list.append(openmc.Cell(cell_id=i+30))\n",
" \n",
"for j, fuels in enumerate(fuel_list):\n",
" fuels.region = -fuel_or & +z_list[j] & -z_list[j+1]\n",
" fuels.fill = uo2\n",
" fuels.temperature = 800.\n",
"\n",
"for j, gaps in enumerate(gap_list):\n",
" gaps.region = +fuel_or & -clad_ir & +z_list[j] & -z_list[j+1]\n",
" gaps.fill = helium\n",
" gaps.temperature = 700.\n",
"\n",
"for j, clads in enumerate(clad_list):\n",
" clads.region = +clad_ir & -clad_or & +z_list[j] & -z_list[j+1]\n",
" clads.fill = zircaloy\n",
" clads.temperature = 600.\n",
"\n",
"for j, waters in enumerate(water_list):\n",
" waters.region = +clad_or & +left & -right & +back & -front & +z_list[j] & -z_list[j+1]\n",
" waters.fill = material_list[j+3]\n",
" waters.temperature = 500."
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {},
"outputs": [],
"source": [
"root = openmc.Universe(name='root universe')\n",
"root.add_cells(fuel_list)\n",
"root.add_cells(gap_list)\n",
"root.add_cells(clad_list)\n",
"root.add_cells(water_list)\n",
"geometry_file = openmc.Geometry(root)\n",
"geometry_file.export_to_xml()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"If you are coupling this externally to a heat transfer solver, you will want to know the heat deposited by each fuel cell. So let's create a cell filter for the recoverable fission heat. "
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {},
"outputs": [],
"source": [
"cell_filter = openmc.CellFilter(fuel_list)\n",
"t = openmc.Tally(tally_id=1)\n",
"t.filters.append(cell_filter)\n",
"t.scores = ['fission-q-recoverable']\n",
"tallies = openmc.Tallies([t])\n",
"tallies.export_to_xml()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Let's plot our geometry to make sure it looks like we expect. Since we made new water materials in each axial cell, and we have centered the plot at 150, we should see one color for the water material in the bottom half and a different color for the water material in the top half. "
]
},
{
"cell_type": "code",
"execution_count": 19,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"<matplotlib.image.AxesImage at 0x126d642e0>"
]
},
"execution_count": 19,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
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"text/plain": [
"<Figure size 432x288 with 1 Axes>"
]
},
"metadata": {
"needs_background": "light"
},
"output_type": "display_data"
}
],
"source": [
"root.plot(basis='yz', width=[2, 10], color_by='material', origin=[0., 0., 150.], pixels=[400, 400])"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Settings: everything will be standard except for the temperature settings. Since we will be working with specified temperatures, you will need temperature dependent data. I typically use the endf data found here: https://openmc.org/official-data-libraries/\n",
"Make sure your cross sections environment variable is pointing to temperature-dependent data before using the following settings."
]
},
{
"cell_type": "code",
"execution_count": 13,
"metadata": {},
"outputs": [],
"source": [
"lower_left = [-0.62992, -pitch/2, 0]\n",
"upper_right = [+0.62992, +pitch/2, +300]\n",
"uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)\n",
"\n",
"settings_file = openmc.Settings()\n",
"settings_file.batches = 100\n",
"settings_file.inactive = 10\n",
"settings_file.particles = 10000\n",
"settings_file.temperature = {'multipole': True, 'method': 'interpolation', 'range': [290, 2500]}\n",
"settings_file.source = openmc.source.Source(space=uniform_dist)\n",
"settings_file.export_to_xml()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"To run a regular simulation, just use openmc.run(). \n",
"However, we want to run a simulation that we can stop in the middle and update the material and cell properties. So we will use openmc.lib."
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {},
"outputs": [],
"source": [
"openmc.lib.init()\n",
"openmc.lib.simulation_init()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"There are 10 inactive batches, so we need to run next_batch() at least 10 times before the tally is activated. "
]
},
{
"cell_type": "code",
"execution_count": 15,
"metadata": {},
"outputs": [],
"source": [
"for _ in range(14):\n",
" openmc.lib.next_batch()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Let's take a look at the tally. There are 10 entries, one for each cell in the fuel."
]
},
{
"cell_type": "code",
"execution_count": 16,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"[[ 4178272.4202991 ]\n",
" [ 9595363.82759911]\n",
" [12307462.30060902]\n",
" [11772927.66594472]\n",
" [11892601.29001472]\n",
" [12203397.88895767]\n",
" [12851791.20965905]\n",
" [11760027.45873386]\n",
" [ 9293110.94735569]\n",
" [ 4511597.61592287]]\n"
]
}
],
"source": [
"t = openmc.lib.tallies[1]\n",
"print(t.mean)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Now, let's make some changes to the temperatures. For this, we need to identify each cell by its id. We can use get_temperature() to compare the temperatures of the cells before and after the change. "
]
},
{
"cell_type": "code",
"execution_count": 17,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"fuel temperature is: \n",
"800.0\n",
"gap temperature is: \n",
"700.0\n",
"clad temperature is: \n",
"600.0\n",
"water temperature is: \n",
"500.00000000000006\n"
]
}
],
"source": [
"print(\"fuel temperature is: \")\n",
"print(openmc.lib.cells[5].get_temperature())\n",
"print(\"gap temperature is: \")\n",
"print(openmc.lib.cells[15].get_temperature())\n",
"print(\"clad temperature is: \")\n",
"print(openmc.lib.cells[25].get_temperature())\n",
"print(\"water temperature is: \")\n",
"print(openmc.lib.cells[35].get_temperature())"
]
},
{
"cell_type": "code",
"execution_count": 18,
"metadata": {},
"outputs": [],
"source": [
"for i in range(1, 11):\n",
" temp = 900.0\n",
" openmc.lib.cells[i].set_temperature(temp)"
]
},
{
"cell_type": "code",
"execution_count": 19,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"fuel temperature is: \n",
"899.9999999999999\n"
]
}
],
"source": [
"print(\"fuel temperature is: \")\n",
"print(openmc.lib.cells[5].get_temperature())"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Let's make a similar change for the water density. Again, we need to identify each material by its id."
]
},
{
"cell_type": "code",
"execution_count": 20,
"metadata": {},
"outputs": [],
"source": [
"for i in range(4, 14):\n",
" density = 0.65\n",
" openmc.lib.materials[i].set_density(density, units='g/cm3')"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"The new batches we run will use the new material and cell properties."
]
},
{
"cell_type": "code",
"execution_count": 21,
"metadata": {},
"outputs": [],
"source": [
"for _ in range(14):\n",
" openmc.lib.next_batch()"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"When you're ready to end the simulation, use the following:"
]
},
{
"cell_type": "code",
"execution_count": 22,
"metadata": {},
"outputs": [],
"source": [
"openmc.lib.simulation_finalize()\n",
"openmc.lib.finalize()"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 3
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.9.0"
}
},
"nbformat": 4,
"nbformat_minor": 4
}

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.. _examples:
========
Examples
========
The following series of `Jupyter <https://jupyter.org/>`_ Notebooks provide
examples for how to use various features of OpenMC by leveraging the
:ref:`pythonapi`.
-------------
General Usage
-------------
.. toctree::
:maxdepth: 1
pincell
post-processing
pandas-dataframes
tally-arithmetic
CAPI
expansion-filters
search
nuclear-data
nuclear-data-resonance-covariance
pincell_depletion
--------
Geometry
--------
.. toctree::
:maxdepth: 1
hexagonal-lattice
triso
candu
cad-based-geometry
-----------------------------------
Multigroup Cross Section Generation
-----------------------------------
.. toctree::
:maxdepth: 1
mgxs-part-i
mgxs-part-ii
mgxs-part-iii
mdgxs-part-i
mdgxs-part-ii
---------------
Multigroup Mode
---------------
.. toctree::
:maxdepth: 1
mg-mode-part-i
mg-mode-part-ii
mg-mode-part-iii
-----------------
Unstructured Mesh
-----------------
.. toctree::
:maxdepth: 1
unstructured-mesh-part-i
unstructured-mesh-part-ii

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The OpenMC Monte Carlo Code
===========================
OpenMC is a Monte Carlo particle transport simulation code focused on neutron
criticality calculations. It is capable of simulating 3D models based on
constructive solid geometry with second-order surfaces. The particle interaction
data is based on ACE format cross sections, also used in the MCNP and Serpent
Monte Carlo codes.
OpenMC is a community-developed Monte Carlo neutron and photon transport
simulation code. It is capable of performing fixed source, k-eigenvalue, and
subcritical multiplication calculations on models built using either a
constructive solid geometry or CAD representation. OpenMC supports both
continuous-energy and multigroup transport. The continuous-energy particle
interaction data is based on a native HDF5 format that can be generated from ACE
files produced by NJOY. Parallelism is enabled via a hybrid MPI and OpenMP
programming model.
OpenMC was originally developed by members of the `Computational Reactor Physics
Group`_ at the `Massachusetts Institute of Technology`_ starting
in 2011. Various universities, laboratories, and other organizations now
contribute to the development of OpenMC. For more information on OpenMC, feel
free to send a message to the User's Group `mailing list`_.
Group <http://crpg.mit.edu>`_ at the `Massachusetts Institute of Technology
<http://web.mit.edu>`_ starting in 2011. Various universities, laboratories, and
other organizations now contribute to the development of OpenMC. For more
information on OpenMC, feel free to post a message on the `OpenMC Discourse
Forum <https://openmc.discourse.group/>`_.
.. _Computational Reactor Physics Group: http://crpg.mit.edu
.. _Massachusetts Institute of Technology: http://web.mit.edu
.. _mailing list: https://groups.google.com/forum/?fromgroups=#!forum/openmc-users
.. admonition:: Recommended publication for citing
:class: tip
Paul K. Romano, Nicholas E. Horelik, Bryan R. Herman, Adam G. Nelson, Benoit
Forget, and Kord Smith, "`OpenMC: A State-of-the-Art Monte Carlo Code for
Research and Development <https://doi.org/10.1016/j.anucene.2014.07.048>`_,"
*Ann. Nucl. Energy*, **82**, 90--97 (2015).
.. only:: html
--------
Contents
--------
--------
Contents
--------
.. toctree::
:maxdepth: 1
quickinstall
releasenotes
examples/index
releasenotes/index
methods/index
usersguide/index
devguide/index
pythonapi/index
capi/index
io_formats/index
publications
license
developers

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.. _io_cross_sections:
============================================
Cross Sections Listing -- cross_sections.xml
============================================
.. _directory_element:
-----------------------
``<directory>`` Element
-----------------------
The ``<directory>`` element specifies a root directory to which the path for all
files listed in a :ref:`library_element` are given relative to. This element has
no attributes or sub-elements; the directory should be given within the text
node. For example,
.. code-block:: xml
<directory>/opt/data/cross_sections/</directory>
.. _library_element:
---------------------
``<library>`` Element
---------------------
The ``<library>`` element indicates where an HDF5 data file is located, whether
it contains incident neutron, incident photon, thermal scattering, or windowed
multipole data, and what materials are listed within. It has the following
attributes:
:materials:
A space-separated list of nuclides or thermal scattering tables. For
example,
.. code-block:: xml
<library materials="U234 U235 U238" />
<library materials="c_H_in_H2O c_D_in_G2O" />
Often, just a single nuclide or thermal scattering table is contained in a
given file.
:path:
Path to the HDF5 file. If the :ref:`directory_element` is specified, the
path is relative to the directory given. Otherwise, it is relative to the
directory containing the ``cross_sections.xml`` file.
:type:
The type of data contained in the file. Accepted values are 'neutron',
'thermal', 'photon', and 'wmp'.
.. _depletion_element:
-----------------------------
``<depletion_chain>`` Element
-----------------------------
The ``<depletion_chain>`` element indicates the location of the depletion chain file.
This file contains information describing how nuclides decay and transmute to other
nuclides through the depletion process. This element has a single attribute, ``path``,
pointing to the location of the chain file.
.. code-block:: xml
<depletion_chain path="/opt/data/chain_endfb7.xml"/>
The structure of the depletion chain file is explained in :ref:`io_depletion_chain`.

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.. _io_data_wmp:
=================================
Windowed Multipole Library Format
=================================
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file
- **version** (*int[2]*) -- Major and minor version of the data
**/<nuclide name>/**
:Datasets:
- **broaden_poly** (*int[]*)
If 1, Doppler broaden curve fit for window with corresponding index.
If 0, do not.
- **curvefit** (*double[][][]*)
Curve fit coefficients. Indexed by (window index, coefficient index,
reaction type).
- **data** (*complex[][]*)
Complex poles and residues. Each pole has a corresponding set of
residues. For example, the :math:`i`-th pole and corresponding residues
are stored as
.. math::
\text{data}[:,i] = [\text{pole},~\text{residue}_1,~\text{residue}_2,
~\ldots]
The residues are in the order: scattering, absorption, fission. Complex
numbers are stored by forming a type with ":math:`r`" and ":math:`i`"
identifiers, similar to how `h5py`_ does it.
- **E_max** (*double*)
Highest energy the windowed multipole part of the library is valid for.
- **E_min** (*double*)
Lowest energy the windowed multipole part of the library is valid for.
- **spacing** (*double*)
.. math::
\frac{\sqrt{E_{max}} - \sqrt{E_{min}}}{n_w}
Where :math:`E_{max}` is the maximum energy the windows go up to.
:math:`E_{min}` is the minimum energy, and :math:`n_w` is the number of
windows, given by ``windows``.
- **sqrtAWR** (*double*)
Square root of the atomic weight ratio.
- **windows** (*int[][]*)
The poles to start from and end at for each window. windows[i, 0] and
windows[i, 1] are, respectively, the indexes (1-based) of the first and
last pole in window i.
.. _h5py: http://docs.h5py.org/en/latest/

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.. _io_depletion_chain:
============================
Depletion Chain -- chain.xml
============================
A depletion chain file has a ``<depletion_chain>`` root element with one or more
``<nuclide>`` child elements. The decay, reaction, and fission product data for
each nuclide appears as child elements of ``<nuclide>``.
---------------------
``<nuclide>`` Element
---------------------
The ``<nuclide>`` element contains information on the decay modes, reactions,
and fission product yields for a given nuclide in the depletion chain. This
element may have the following attributes:
:name:
Name of the nuclide
:half_life:
Half-life of the nuclide in [s]
:decay_modes:
Number of decay modes present
:decay_energy:
Decay energy released in [eV]
:reactions:
Number of reactions present
For each decay mode, a :ref:`io_chain_decay` appears as a child of
``<nuclide>``. For each reaction present, a :ref:`io_chain_reaction` appears as
a child of ``<nuclide>``. If the nuclide is fissionable, a :ref:`io_chain_nfy`
appears as well.
.. _io_chain_decay:
-------------------
``<decay>`` Element
-------------------
The ``<decay>`` element represents a single decay mode and has the following
attributes:
:type:
The type of the decay, e.g. 'ec/beta+'
:target:
The daughter nuclide produced from the decay
:branching_ratio:
The branching ratio for this decay mode
.. _io_chain_reaction:
----------------------
``<reaction>`` Element
----------------------
The ``<reaction>`` element represents a single transmutation reaction. This
element has the following attributes:
:type:
The type of the reaction, e.g., '(n,gamma)'
:Q:
The Q value of the reaction in [eV]
:target:
The nuclide produced in the reaction (absent if the type is 'fission')
:branching_ratio:
The branching ratio for the reaction
.. _io_chain_nfy:
------------------------------------
``<neutron_fission_yields>`` Element
------------------------------------
The ``<neutron_fission_yields>`` element provides yields of fission products for
fissionable nuclides. Normally, it has the follow sub-elements:
:energies:
Energies in [eV] at which yields for products are tabulated
:fission_yields:
Fission product yields for a single energy point. This element itself has a
number of attributes/sub-elements:
:energy:
Energy in [eV] at which yields are tabulated
:products:
Names of fission products
:data:
Independent yields for each fission product
In the event that a nuclide doesn't have any known fission product yields, it is
possible to have that nuclide borrow yields from another nuclide by indicating
the other nuclide in a single `parent` attribute. For example:
.. code-block:: xml
<neutron_fission_yields parent="U235"/>

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.. _io_depletion_results:
=============================
Depletion Results File Format
=============================
The current version of the depletion results file format is 1.1.
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
- **version** (*int[2]*) -- Major and minor version of the
statepoint file format.
:Datasets: - **eigenvalues** (*double[][][2]*) -- k-eigenvalues at each
time/stage. This array has shape (number of timesteps, number of
stages, value). The last axis contains the eigenvalue and the
associated uncertainty
- **number** (*double[][][][]*) -- Total number of atoms. This array
has shape (number of timesteps, number of stages, number of
materials, number of nuclides).
- **reaction rates** (*double[][][][][]*) -- Reaction rates used to
build depletion matrices. This array has shape (number of
timesteps, number of stages, number of materials, number of
nuclides, number of reactions).
- **time** (*double[][2]*) -- Time in [s] at beginning/end of each
step.
- **source_rate** (*double[][]*) -- Power in [W] or source rate in
[neutron/sec]. This array has shape (number of timesteps, number
of stages).
- **depletion time** (*double[]*) -- Average process time in [s]
spent depleting a material across all burnable materials and,
if applicable, MPI processes.
**/materials/<id>/**
:Attributes: - **index** (*int*) -- Index used in results for this material
- **volume** (*double*) -- Volume of this material in [cm^3]
**/nuclides/<name>/**
:Attributes: - **atom number index** (*int*) -- Index in array of total atoms
for this nuclide
- **reaction rate index** (*int*) -- Index in array of reaction
rates for this nuclide
**/reactions/<name>/**
:Attributes: - **index** (*int*) -- Index user in results for this reaction
.. note::
The reaction rates for some isotopes not originally present may
be non-zero, but should be negligible compared to other atoms.
This can be controlled by changing the
:class:`openmc.deplete.Operator` ``dilute_initial`` attribute.

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.. _io_geometry:
======================================
Geometry Specification -- geometry.xml
======================================
.. _surface_element:
---------------------
``<surface>`` Element
---------------------
Each ``<surface>`` element can have the following attributes or sub-elements:
:id:
A unique integer that can be used to identify the surface.
*Default*: None
:name:
An optional string name to identify the surface in summary output
files. This string is limited to 52 characters for formatting purposes.
*Default*: ""
:type:
The type of the surfaces. This can be "x-plane", "y-plane", "z-plane",
"plane", "x-cylinder", "y-cylinder", "z-cylinder", "sphere", "x-cone",
"y-cone", "z-cone", or "quadric".
*Default*: None
:coeffs:
The corresponding coefficients for the given type of surface. See below for
a list a what coefficients to specify for a given surface
*Default*: None
:boundary:
The boundary condition for the surface. This can be "transmission",
"vacuum", "reflective", or "periodic". Periodic boundary conditions can
only be applied to x-, y-, and z-planes. Only axis-aligned periodicity is
supported, i.e., x-planes can only be paired with x-planes. Specify which
planes are periodic and the code will automatically identify which planes
are paired together.
*Default*: "transmission"
:periodic_surface_id:
If a periodic boundary condition is applied, this attribute identifies the
``id`` of the corresponding periodic sufrace.
The following quadratic surfaces can be modeled:
:x-plane:
A plane perpendicular to the x axis, i.e. a surface of the form :math:`x -
x_0 = 0`. The coefficients specified are ":math:`x_0`".
:y-plane:
A plane perpendicular to the y axis, i.e. a surface of the form :math:`y -
y_0 = 0`. The coefficients specified are ":math:`y_0`".
:z-plane:
A plane perpendicular to the z axis, i.e. a surface of the form :math:`z -
z_0 = 0`. The coefficients specified are ":math:`z_0`".
:plane:
An arbitrary plane of the form :math:`Ax + By + Cz = D`. The coefficients
specified are ":math:`A \: B \: C \: D`".
:x-cylinder:
An infinite cylinder whose length is parallel to the x-axis. This is a
quadratic surface of the form :math:`(y - y_0)^2 + (z - z_0)^2 = R^2`. The
coefficients specified are ":math:`y_0 \: z_0 \: R`".
:y-cylinder:
An infinite cylinder whose length is parallel to the y-axis. This is a
quadratic surface of the form :math:`(x - x_0)^2 + (z - z_0)^2 = R^2`. The
coefficients specified are ":math:`x_0 \: z_0 \: R`".
:z-cylinder:
An infinite cylinder whose length is parallel to the z-axis. This is a
quadratic surface of the form :math:`(x - x_0)^2 + (y - y_0)^2 = R^2`. The
coefficients specified are ":math:`x_0 \: y_0 \: R`".
:sphere:
A sphere of the form :math:`(x - x_0)^2 + (y - y_0)^2 + (z - z_0)^2 =
R^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0 \: R`".
:x-cone:
A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 =
R^2 (x - x_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
\: R^2`".
:y-cone:
A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 =
R^2 (y - y_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
\: R^2`".
:z-cone:
A cone parallel to the x-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
R^2 (z - z_0)^2`. The coefficients specified are ":math:`x_0 \: y_0 \: z_0
\: R^2`".
:quadric:
A general quadric surface of the form :math:`Ax^2 + By^2 + Cz^2 + Dxy +
Eyz + Fxz + Gx + Hy + Jz + K = 0` The coefficients specified are ":math:`A
\: B \: C \: D \: E \: F \: G \: H \: J \: K`".
.. _cell_element:
------------------
``<cell>`` Element
------------------
Each ``<cell>`` element can have the following attributes or sub-elements:
:id:
A unique integer that can be used to identify the cell.
*Default*: None
:name:
An optional string name to identify the cell in summary output files.
This string is limmited to 52 characters for formatting purposes.
*Default*: ""
:universe:
The ``id`` of the universe that this cell is contained in.
*Default*: 0
:fill:
The ``id`` of the universe that fills this cell.
.. note:: If a fill is specified, no material should be given.
*Default*: None
:material:
The ``id`` of the material that this cell contains. If the cell should
contain no material, this can also be set to "void". A list of materials
can be specified for the "distributed material" feature. This will give each
unique instance of the cell its own material.
.. note:: If a material is specified, no fill should be given.
*Default*: None
:region:
A Boolean expression of half-spaces that defines the spatial region which
the cell occupies. Each half-space is identified by the unique ID of the
surface prefixed by `-` or `+` to indicate that it is the negative or
positive half-space, respectively. The `+` sign for a positive half-space
can be omitted. Valid Boolean operators are parentheses, union `|`,
complement `~`, and intersection. Intersection is implicit and indicated by
the presence of whitespace. The order of operator precedence is parentheses,
complement, intersection, and then union.
As an example, the following code gives a cell that is the union of the
negative half-space of surface 3 and the complement of the intersection of
the positive half-space of surface 5 and the negative half-space of surface
2:
.. code-block:: xml
<cell id="1" material="1" region="-3 | ~(5 -2)" />
.. note:: The ``region`` attribute/element can be omitted to make a cell
fill its entire universe.
*Default*: A region filling all space.
:temperature:
The temperature of the cell in Kelvin. The temperature may be used in
windowed multipole Doppler broadening or interpolation of pointwise cross
sections versus temperature. A list of temperatures can be specified for the
"distributed temperature" feature. This will give each unique instance of
the cell its own temperature.
*Default*: If a material default temperature is supplied, it is used. In the
absence of a material default temperature, the :ref:`global default
temperature <temperature_default>` is used.
:rotation:
If the cell is filled with a universe, this element specifies the angles in
degrees about the x, y, and z axes that the filled universe should be
rotated. Should be given as three real numbers. For example, if you wanted
to rotate the filled universe by 90 degrees about the z-axis, the cell
element would look something like:
.. code-block:: xml
<cell fill="..." rotation="0 0 90" />
The rotation applied is an intrinsic rotation whose Tait-Bryan angles are
given as those specified about the x, y, and z axes respectively. That is to
say, if the angles are :math:`(\phi, \theta, \psi)`, then the rotation
matrix applied is :math:`R_z(\psi) R_y(\theta) R_x(\phi)` or
.. math::
\left [ \begin{array}{ccc} \cos\theta \cos\psi & -\cos\phi \sin\psi +
\sin\phi \sin\theta \cos\psi & \sin\phi \sin\psi + \cos\phi \sin\theta
\cos\psi \\ \cos\theta \sin\psi & \cos\phi \cos\psi + \sin\phi \sin\theta
\sin\psi & -\sin\phi \cos\psi + \cos\phi \sin\theta \sin\psi \\
-\sin\theta & \sin\phi \cos\theta & \cos\phi \cos\theta \end{array}
\right ]
*Default*: None
:translation:
If the cell is filled with a universe, this element specifies a vector that
is used to translate (shift) the universe. Should be given as three real
numbers.
.. note:: Any translation operation is applied after a rotation, if also
specified.
*Default*: None
---------------------
``<lattice>`` Element
---------------------
The ``<lattice>`` can be used to represent repeating structures (e.g. fuel pins
in an assembly) or other geometry which fits onto a rectilinear grid. Each cell
within the lattice is filled with a specified universe. A ``<lattice>`` accepts
the following attributes or sub-elements:
:id:
A unique integer that can be used to identify the lattice.
:name:
An optional string name to identify the lattice in summary output
files. This string is limited to 52 characters for formatting purposes.
*Default*: ""
:dimension:
Two or three integers representing the number of lattice cells in the x- and
y- (and z-) directions, respectively.
*Default*: None
:lower_left:
The coordinates of the lower-left corner of the lattice. If the lattice is
two-dimensional, only the x- and y-coordinates are specified.
*Default*: None
:pitch:
If the lattice is 3D, then three real numbers that express the distance
between the centers of lattice cells in the x-, y-, and z- directions. If
the lattice is 2D, then omit the third value.
*Default*: None
:outer:
The unique integer identifier of a universe that will be used to fill all
space outside of the lattice. The universe will be tiled repeatedly as if
it were placed in a lattice of infinite size. This element is optional.
*Default*: An error will be raised if a particle leaves a lattice with no
outer universe.
:universes:
A list of the universe numbers that fill each cell of the lattice.
*Default*: None
Here is an example of a properly defined 2d rectangular lattice:
.. code-block:: xml
<lattice id="10" dimension="3 3" outer="1">
<lower_left> -1.5 -1.5 </lower_left>
<pitch> 1.0 1.0 </pitch>
<universes>
2 2 2
2 1 2
2 2 2
</universes>
</lattice>
-------------------------
``<hex_lattice>`` Element
-------------------------
The ``<hex_lattice>`` can be used to represent repeating structures (e.g. fuel
pins in an assembly) or other geometry which naturally fits onto a hexagonal
grid or hexagonal prism grid. Each cell within the lattice is filled with a
specified universe. This lattice uses the "flat-topped hexagon" scheme where two
of the six edges are perpendicular to the y-axis. A ``<hex_lattice>`` accepts
the following attributes or sub-elements:
:id:
A unique integer that can be used to identify the lattice.
:name:
An optional string name to identify the hex_lattice in summary output
files. This string is limited to 52 characters for formatting purposes.
*Default*: ""
:n_rings:
An integer representing the number of radial ring positions in the xy-plane.
Note that this number includes the degenerate center ring which only has one
element.
*Default*: None
:n_axial:
An integer representing the number of positions along the z-axis. This
element is optional.
*Default*: None
:orientation:
The orientation of the hexagonal lattice. The string "x" indicates that two
sides of the lattice are parallel to the x-axis, whereas the string "y"
indicates that two sides are parallel to the y-axis.
*Default*: "y"
:center:
The coordinates of the center of the lattice. If the lattice does not have
axial sections then only the x- and y-coordinates are specified.
*Default*: None
:pitch:
If the lattice is 3D, then two real numbers that express the distance
between the centers of lattice cells in the xy-plane and along the z-axis,
respectively. If the lattice is 2D, then omit the second value.
*Default*: None
:outer:
The unique integer identifier of a universe that will be used to fill all
space outside of the lattice. The universe will be tiled repeatedly as if
it were placed in a lattice of infinite size. This element is optional.
*Default*: An error will be raised if a particle leaves a lattice with no
outer universe.
:universes:
A list of the universe numbers that fill each cell of the lattice.
*Default*: None
Here is an example of a properly defined 2d hexagonal lattice:
.. code-block:: xml
<hex_lattice id="10" n_rings="3" outer="1">
<center> 0.0 0.0 </center>
<pitch> 1.0 </pitch>
<universes>
202
202 202
202 202 202
202 202
202 101 202
202 202
202 202 202
202 202
202
</universes>
</hex_lattice>

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.. _io_file_formats:
==========================
File Format Specifications
==========================
.. _io_file_formats_input:
-----------
Input Files
-----------
.. toctree::
:numbered:
:maxdepth: 1
geometry
materials
settings
tallies
plots
----------
Data Files
----------
.. toctree::
:numbered:
:maxdepth: 1
cross_sections
depletion_chain
nuclear_data
mgxs_library
data_wmp
------------
Output Files
------------
.. toctree::
:numbered:
:maxdepth: 1
statepoint
source
surface_source
summary
depletion_results
particle_restart
track
voxel
volume

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.. _io_materials:
========================================
Materials Specification -- materials.xml
========================================
.. _cross_sections:
----------------------------
``<cross_sections>`` Element
----------------------------
The ``<cross_sections>`` element has no attributes and simply indicates the path
to an XML cross section listing file (usually named cross_sections.xml). If this
element is absent from the settings.xml file, the
:envvar:`OPENMC_CROSS_SECTIONS` environment variable will be used to find the
path to the XML cross section listing when in continuous-energy mode, and the
:envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable will be used in
multi-group mode.
.. _material:
----------------------
``<material>`` Element
----------------------
Each ``material`` element can have the following attributes or sub-elements:
:id:
A unique integer that can be used to identify the material.
:name:
An optional string name to identify the material in summary output
files. This string is limited to 52 characters for formatting purposes.
*Default*: ""
:depletable:
Boolean value indicating whether the material is depletable.
:volume:
Volume of the material in cm^3.
:temperature:
Temperature of the material in Kelvin.
*Default*: If a material default temperature is not given and a cell
temperature is not specified, the :ref:`global default temperature
<temperature_default>` is used.
:density:
An element with attributes/sub-elements called ``value`` and ``units``. The
``value`` attribute is the numeric value of the density while the ``units``
can be "g/cm3", "kg/m3", "atom/b-cm", "atom/cm3", or "sum". The "sum" unit
indicates that values appearing in ``ao`` or ``wo`` attributes for ``<nuclide>``
and ``<element>`` sub-elements are to be interpreted as absolute nuclide/element
densities in atom/b-cm or g/cm3, and the total density of the material is
taken as the sum of all nuclides/elements. The "macro" unit is used with
a ``macroscopic`` quantity to indicate that the density is already included
in the library and thus not needed here. However, if a value is provided
for the ``value``, then this is treated as a number density multiplier on
the macroscopic cross sections in the multi-group data. This can be used,
for example, when perturbing the density slightly.
*Default*: None
.. note:: A ``macroscopic`` quantity can not be used in conjunction with a
``nuclide``, ``element``, or ``sab`` quantity.
:nuclide:
An element with attributes/sub-elements called ``name``, and ``ao``
or ``wo``. The ``name`` attribute is the name of the cross-section for a
desired nuclide. Finally, the ``ao`` and ``wo`` attributes specify the atom or
weight percent of that nuclide within the material, respectively. One
example would be as follows:
.. code-block:: xml
<nuclide name="H1" ao="2.0" />
<nuclide name="O16" ao="1.0" />
.. note:: If one nuclide is specified in atom percent, all others must also
be given in atom percent. The same applies for weight percentages.
*Default*: None
:sab:
Associates an S(a,b) table with the material. This element has an
attribute/sub-element called ``name``. The ``name`` attribute
is the name of the S(a,b) table that should be associated with the material.
There is also an optional ``fraction`` element which indicates what fraction
of the relevant nuclides will be affected by the S(a,b) table (e.g. which
fraction of a material is crystalline versus amorphous). ``fraction``
defaults to unity.
*Default*: None
.. note:: This element is not used in the multi-group :ref:`energy_mode`.
:isotropic:
The ``isotropic`` element indicates a list of nuclides for which elastic
scattering should be treated as though it were isotropic in the laboratory
system. This element may be most useful when using OpenMC to compute
multi-group cross-sections for deterministic transport codes and to quantify
the effects of anisotropic scattering.
*Default*: No nuclides are treated as have isotropic elastic scattering.
.. note:: This element is not used in the multi-group :ref:`energy_mode`.
:macroscopic:
The ``macroscopic`` element is similar to the ``nuclide`` element, but,
recognizes that some multi-group libraries may be providing material
specific macroscopic cross sections instead of always providing nuclide
specific data like in the continuous-energy case. To that end, the
macroscopic element has one attribute/sub-element called ``name``.
The ``name`` attribute is the name of the cross-section for a
desired nuclide. One example would be as follows:
.. code-block:: xml
<macroscopic name="UO2" />
.. note:: This element is only used in the multi-group :ref:`energy_mode`.
*Default*: None

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.. _io_mgxs_library:
========================================
Multi-Group Cross Section Library Format
========================================
OpenMC can be run in continuous-energy mode or multi-group mode, provided the
nuclear data is available. In continuous-energy mode, the
``cross_sections.xml`` file contains necessary meta-data for each dataset,
including the name and a file system location where the complete library
can be found. In multi-group mode, the multi-group meta-data and the
nuclear data itself is contained within an ``mgxs.h5`` file. This portion of
the manual describes the format of the multi-group data library required
to be used in the ``mgxs.h5`` file.
The multi-group library is provided in the HDF5_ format. This library must
provide some meta-data about the library itself (such as the number of
energy groups, delayed groups, and the energy group structure, etc.) as
well as the actual cross section data itself for each of the necessary
nuclides or materials.
The current version of the multi-group library file format is 1.0.
.. _HDF5: http://www.hdfgroup.org/HDF5/
.. _mgxs_lib_spec:
--------------------------
MGXS Library Specification
--------------------------
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file;
for this library it will be 'mgxs'.
- **version** (*int[2]*) -- Major and minor version of the
multi-group library file format.
- **energy_groups** (*int*) -- Number of energy groups
- **delayed_groups** (*int*) -- Number of delayed groups (optional)
- **group structure** (*double[]*) -- Monotonically increasing
list of group boundaries, in units of eV. The length of this
array should be the number of groups plus 1.
**/<library name>/**
The data within <library name> contains the temperature-dependent multi-group
data for the nuclide or material that it represents.
:Attributes: - **atomic_weight_ratio** (*double*) -- The atomic weight ratio
(optional, i.e. it is not meaningful for material-wise data).
- **fissionable** (*bool*) -- Whether the dataset is fissionable
(True) or not (False).
- **representation** (*char[]*) -- The method used to generate and
represent the multi-group cross sections. That is, whether they
were generated with scalar flux weighting (or reduced to a
similar representation) and thus are angle-independent, or if the
data was generated with angular dependent fluxes and thus the
data is angle-dependent. Valid values are either "isotropic" or
"angle".
- **num_azimuthal** (*int*) -- Number of equal width angular bins
that the azimuthal angular domain is subdivided if the
`representation` attribute is "angle". This parameter is
ignored otherwise.
- **num_polar** (*int*) -- Number of equal width angular bins
that the polar angular domain is subdivided if the
`representation` attribute is "angle". This parameter is
ignored otherwise.
- **scatter_format** (*char[]*) -- The representation of the
scattering angular distribution. The options are either
"legendre", "histogram", or "tabular". If not provided, the
default of "legendre" will be assumed.
- **order** (*int*) -- Either the Legendre order, number of bins,
or number of points (depending on the value of `scatter_format`)
used to describe the angular distribution associated with each
group-to-group transfer probability.
- **scatter_shape** (*char[]*) -- The shape of the provided
scatter and multiplicity matrix. The values provided are strings
describing the ordering the scattering array is provided in
row-major (i.e., C/C++ and Python) indexing. Valid values are
"[Order][G][G']" or "[Order][G'][G]" where "G'" denotes the
secondary/outgoing energy groups, "G" denotes the incoming
energy groups, and "Order" is the angular distribution index.
This value is not required; if not the default value of
"[Order][G][G']" will be assumed.
**/<library name>/kTs/**
:Datasets:
- **<TTT>K** (*double*) -- kT values (in eV) for each temperature
TTT (in Kelvin), rounded to the nearest integer
**/<library name>/<TTT>K/**
Temperature-dependent data, provided for temperature <TTT>K.
:Datasets: - **total** (*double[]* or *double[][][]*) -- Total cross section.
This is a 1-D vector if `representation` is "isotropic", or a 3-D
vector if `representation` is "angle" with dimensions of
[polar][azimuthal][groups].
- **absorption** (*double[]* or *double[][][]*) -- Absorption
cross section.
This is a 1-D vector if `representation` is "isotropic", or a 3-D
vector if `representation` is "angle" with dimensions of
[groups][azimuthal][polar].
- **fission** (*double[]* or *double[][][]*) -- Fission
cross section.
This is a 1-D vector if `representation` is "isotropic", or a 3-D
vector if `representation` is "angle" with dimensions of
[polar][azimuthal][groups]. This is only required if the dataset
is fissionable and fission-tallies are expected to be used.
- **kappa-fission** (*double[]* or *double[][][]*) -- Kappa-Fission
(energy-release from fission) cross section.
This is a 1-D vector if `representation` is "isotropic", or a 3-D
vector if `representation` is "angle" with dimensions of
[polar][azimuthal][groups]. This is only required if the dataset
is fissionable and fission-tallies are expected to be used.
- **chi** (*double[]* or *double[][][]*) -- Fission neutron energy
spectra.
This is a 1-D vector if `representation` is "isotropic", or a 3-D
vector if `representation` is "angle" with dimensions of
[polar][azimuthal][groups]. This is only required if the dataset
is fissionable and fission-tallies are expected to be used.
- **nu-fission** (*double[]* to *double[][][][]*) -- Nu-Fission
cross section.
If **chi** is provided, then `nu-fission` has the same
dimensionality as `fission`. If **chi** is not provided, then
the `nu-fission` data must represent the fission neutron energy
spectra as well and thus will have one additional dimension
for the outgoing energy group. In this case, `nu-fission` has the
same dimensionality as `multiplicity matrix`.
- **inverse-velocity** (*double[]* or *double[][][]*) --
Average inverse velocity for each of the groups in the library.
This dataset is optional. This is a 1-D vector if `representation`
is "isotropic", or a 3-D vector if `representation` is "angle"
with dimensions of [polar][azimuthal][groups].
**/<library name>/<TTT>K/scatter_data/**
Data specific to neutron scattering for the temperature <TTT>K
:Datasets: - **g_min** (*int[]* or *int[][][]*) --
Minimum (most energetic) groups with non-zero values of
the scattering matrix provided. If `scatter_shape` is
"[Order][G][G']" then `g_min` will describe the minimum values
of "G'" for each "G"; if `scatter_shape` is "[Order][G'][G]"
then `g_min` will describe the minimum values of "G" for each "G'".
These group numbers use the standard
ordering where the fastest neutron energy group is group 1 while
the slowest neutron energy group is group G.
The dimensionality of `g_min` is:
`g_min[g]`, or `g_min[num_polar][num_azimuthal][g]`.
The former is used when `representation` is "isotropic", and the
latter when `representation` is "angle".
- **g_max** (*int[]* or *int[][][]*) --
Similar to `g_min`, except this dataset describes the maximum
(least energetic) groups with non-zero values of
the scattering matrix.
- **scatter_matrix** (*double[]*) -- Flattened representation of the
scattering moment matrices. The pre-flattened array corresponds to
the shape provied in `scatter_shape`, but if `representation` is
"angle" the dimensionality in `scatter_shape` is prepended by
"[num_polar][num_azimuthal]" dimensions. The right-most energy
group dimension will only include the entries between `g_min` and
`g_max`.
dimension has a dimensionality of `g_min` to `g_max`.
- **multiplicity_matrix** (*double[]*) -- Flattened representation of
the scattering moment matrices. This dataset provides the code with
a scaling factor to account for neutrons being produced in (n,xn)
reactions. This is assumed isotropic and therefore is not repeated
for every Legendre moment or histogram/tabular bin. This dataset is
optional, if it is not provided no multiplication (i.e., values of
1.0) will be assumed.
The pre-flattened array is shapes consistent with `scatter_matrix`
except the "[Order]" dimension in `scatter_shape` is ignored since
this data is assumed isotropic.

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.. _io_nuclear_data:
=========================
Nuclear Data File Formats
=========================
---------------------
Incident Neutron Data
---------------------
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file
- **version** (*int[2]*) -- Major and minor version of the data
**/<nuclide name>/**
:Attributes: - **Z** (*int*) -- Atomic number
- **A** (*int*) -- Mass number. For a natural element, A=0 is given.
- **metastable** (*int*) -- Metastable state (0=ground, 1=first
excited, etc.)
- **atomic_weight_ratio** (*double*) -- Mass in units of neutron masses
- **n_reaction** (*int*) -- Number of reactions
:Datasets:
- **energy** (*double[]*) -- Energies in [eV] at which cross sections
are tabulated
**/<nuclide name>/kTs/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Datasets:
- **<TTT>K** (*double*) -- kT values in [eV] for each temperature
TTT (in Kelvin)
**/<nuclide name>/reactions/reaction_<mt>/**
:Attributes: - **mt** (*int*) -- ENDF MT reaction number
- **label** (*char[]*) -- Name of the reaction
- **Q_value** (*double*) -- Q value in eV
- **center_of_mass** (*int*) -- Whether the reference frame for
scattering is center-of-mass (1) or laboratory (0)
- **n_product** (*int*) -- Number of reaction products
- **redundant** (*int*) -- Whether reaction is redundant
**/<nuclide name>/reactions/reaction_<mt>/<TTT>K/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Datasets:
- **xs** (*double[]*) -- Cross section values tabulated against the
nuclide energy grid for temperature TTT (in Kelvin)
:Attributes:
- **threshold_idx** (*int*) -- Index on the energy
grid that the reaction threshold corresponds to for
temperature TTT (in Kelvin)
**/<nuclide name>/reactions/reaction_<mt>/product_<j>/**
Reaction product data is described in :ref:`product`.
**/<nuclide name>/urr/<TTT>K/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Attributes: - **interpolation** (*int*) -- interpolation scheme
- **inelastic** (*int*) -- flag indicating inelastic scattering
- **other_absorb** (*int*) -- flag indicating other absorption
- **factors** (*int*) -- flag indicating whether tables are
absolute or multipliers
:Datasets: - **energy** (*double[]*) -- Energy at which probability tables exist
- **table** (*double[][][]*) -- Probability tables
**/<nuclide name>/total_nu/**
This special product is used to define the total number of neutrons produced
from fission. It is formatted as a reaction product, described in
:ref:`product`.
**/<nuclide name>/fission_energy_release/**
:Datasets: - **fragments** (:ref:`function <1d_functions>`) -- Energy
released in the form of fragments as a function of incident
neutron energy.
- **prompt_neutrons** (:ref:`function <1d_functions>`) -- Energy
released in the form of prompt neutrons as a function of incident
neutron energy.
- **delayed_neutrons** (:ref:`function <1d_functions>`) -- Energy
released in the form of delayed neutrons as a function of incident
neutron energy.
- **prompt_photons** (:ref:`function <1d_functions>`) -- Energy
released in the form of prompt photons as a function of incident
neutron energy.
- **delayed_photons** (:ref:`function <1d_functions>`) -- Energy
released in the form of delayed photons as a function of incident
neutron energy.
- **betas** (:ref:`function <1d_functions>`) -- Energy released in
the form of betas as a function of incident neutron energy.
- **neutrinos** (:ref:`function <1d_functions>`) -- Energy released
in the form of neutrinos as a function of incident neutron energy.
- **q_prompt** (:ref:`function <1d_functions>`) -- The prompt fission
Q-value (fragments + prompt neutrons + prompt photons - incident
energy)
- **q_recoverable** (:ref:`function <1d_functions>`) -- The
recoverable fission Q-value (Q_prompt + delayed neutrons + delayed
photons + betas)
--------------------
Incident Photon Data
--------------------
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file
- **version** (*int[2]*) -- Major and minor version of the data
**/<element>/**
:Attributes: - **Z** (*int*) -- Atomic number
:Datasets:
- **energy** (*double[]*) -- Energies in [eV] at which cross sections
are tabulated
**/<element>/bremsstrahlung/**
:Attributes: - **I** (*double*) -- Mean excitation energy in [eV]
:Datasets: - **electron_energy** (*double[]*) -- Incident electron energy in [eV]
- **photon_energy** (*double[]*) -- Outgoing photon energy as
fraction of incident electron energy
- **dcs** (*double[][]*) -- Bremsstrahlung differential cross section
at each incident energy in [mb/eV]
- **ionization_energy** (*double[]*) -- Ionization potential of each
subshell in [eV]
- **num_electrons** (*int[]*) -- Number of electrons per subshell,
with conduction electrons indicated by a negative value
**/<element>/coherent/**
:Datasets: - **xs** (*double[]*) -- Coherent scattering cross section in [b]
- **integrated_scattering_factor** (:ref:`tabulated <1d_tabulated>`)
-- Integrated coherent scattering form factor
- **anomalous_real** (:ref:`tabulated <1d_tabulated>`) -- Real part
of the anomalous scattering factor
- **anomalous_imag** (:ref:`tabulated <1d_tabulated>`) -- Imaginary
part of the anomalous scattering factor
**/<element>/compton_profiles/**
:Datasets: - **binding_energy** (*double[]*) -- Binding energy for each subshell in [eV]
- **num_electrons** (*double[]*) -- Number of electrons in each subshell
- **pz** (*double[]*) -- Projection of the electron momentum on the
scattering vector in units of :math:`me^2 / \hbar` where :math:`m`
is the electron rest mass and :math:`e` is the electron charge
- **J** (*double[][]*) -- Compton profile for each subshell in units
of :math:`\hbar / (me^2)`
**/<element>/heating/**
:Datasets: - **xs** (*double[]*) -- Total heating cross section in [b-eV]
**/<element>/incoherent/**
:Datasets: - **xs** (*double[]*) -- Incoherent scattering cross section in [b]
- **scattering_factor** (:ref:`tabulated <1d_tabulated>`) --
**/<element>/pair_production_electron/**
:Datasets: - **xs** (*double[]*) -- Pair production (electron field) cross section in [b]
**/<element>/pair_production_nuclear/**
:Datasets: - **xs** (*double[]*) -- Pair production (nuclear field) cross section in [b]
**/<element>/photoelectric/**
:Datasets: - **xs** (*double[]*) -- Total photoionization cross section in [b]
**/<element>/subshells/**
:Attributes: - **designators** (*char[][]*) -- Designator for each shell, e.g. 'M2'
**/<element>/subshells/<designator>/**
:Attributes: - **binding_energy** (*double*) -- Binding energy of the subshell in [eV]
- **num_electrons** (*double*) -- Number of electrons in the subshell
:Datasets: - **transitions** (*double[][]*) -- Atomic relaxation data
- **xs** (*double[]*) -- Photoionization cross section for subshell
in [b] tabulated against the main energy grid
:Attributes:
- **threshold_idx** (*int*) -- Index on the energy
grid of the reaction threshold
-------------------------------
Thermal Neutron Scattering Data
-------------------------------
**/**
:Attributes:
- **version** (*int[2]*) -- Major and minor version of the data
**/<thermal name>/**
:Attributes: - **atomic_weight_ratio** (*double*) -- Mass in units of neutron masses
- **energy_max** (*double*) -- Maximum energy in [eV]
- **nuclides** (*char[][]*) -- Names of nuclides for which the
thermal scattering data applies to
**/<thermal name>/kTs/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Datasets:
- **<TTT>K** (*double*) -- kT values (in eV) for each temperature
TTT (in Kelvin)
**/<thermal name>/elastic/<TTT>K/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Datasets:
- **xs** (:ref:`function <1d_functions>`) -- Thermal elastic
scattering cross section for temperature TTT (in Kelvin)
:Groups:
- **distribution** -- Format for angle-energy distributions are
detailed in :ref:`angle_energy`.
**/<thermal name>/inelastic/<TTT>K/**
<TTT>K is the temperature in Kelvin, rounded to the nearest integer, of the
temperature-dependent data set. For example, the data set corresponding to
300 Kelvin would be located at `300K`.
:Datasets:
- **xs** (:ref:`function <1d_functions>`) -- Thermal inelastic
scattering cross section for temperature TTT (in Kelvin)
:Groups:
- **distribution** -- Format for angle-energy distributions are
detailed in :ref:`angle_energy`.
.. _product:
-----------------
Reaction Products
-----------------
:Object type: Group
:Attributes: - **particle** (*char[]*) -- Type of particle
- **emission_mode** (*char[]*) -- Emission mode (prompt, delayed,
total)
- **decay_rate** (*double*) -- Rate of decay in inverse seconds
- **n_distribution** (*int*) -- Number of angle/energy
distributions
:Datasets:
- **yield** (:ref:`function <1d_functions>`) -- Energy-dependent
yield of the product.
:Groups:
- **distribution_<k>** -- Formats for angle-energy distributions are
detailed in :ref:`angle_energy`. When multiple angle-energy
distributions occur, one dataset also may appear for each
distribution:
:Datasets:
- **applicability** (:ref:`function <1d_functions>`) --
Probability of selecting this distribution as a function
of incident energy
.. _1d_functions:
-------------------------
One-dimensional Functions
-------------------------
Scalar
------
:Object type: Dataset
:Datatype: *double*
:Attributes: - **type** (*char[]*) -- 'constant'
.. _1d_tabulated:
Tabulated
---------
:Object type: Dataset
:Datatype: *double[2][]*
:Description: x-values are listed first followed by corresponding y-values
:Attributes: - **type** (*char[]*) -- 'Tabulated1D'
- **breakpoints** (*int[]*) -- Region breakpoints
- **interpolation** (*int[]*) -- Region interpolation codes
.. _1d_polynomial:
Polynomial
----------
:Object type: Dataset
:Datatype: *double[]*
:Description: Polynomial coefficients listed in order of increasing power
:Attributes: - **type** (*char[]*) -- 'Polynomial'
Coherent elastic scattering
---------------------------
:Object type: Dataset
:Datatype: *double[2][]*
:Description: The first row lists Bragg edges and the second row lists structure
factor cumulative sums.
:Attributes: - **type** (*char[]*) -- 'CoherentElastic'
Incoherent elastic scattering
-----------------------------
:Object type: Dataset
:Datatype: *double[2]*
:Description: The first value is the characteristic bound cross section in [b]
and the second value is the Debye-Waller integral in
[eV\ :math:`^{-1}`].
:Attributes: - **type** (*char[]*) -- 'IncoherentElastic'
.. _angle_energy:
--------------------------
Angle-Energy Distributions
--------------------------
Uncorrelated Angle-Energy
-------------------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'uncorrelated'
:Datasets: - **angle/energy** (*double[]*) -- energies at which angle distributions exist
- **angle/mu** (*double[3][]*) -- tabulated angular distributions for
each energy. The first row gives :math:`\mu` values, the second row
gives the probability density, and the third row gives the
cumulative distribution.
:Attributes: - **offsets** (*int[]*) -- indices indicating where
each angular distribution starts
- **interpolation** (*int[]*) -- interpolation code
for each angular distribution
:Groups: - **energy/** (:ref:`energy distribution <energy_distribution>`)
.. _correlated_angle_energy:
Correlated Angle-Energy
-----------------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'correlated'
:Datasets: - **energy** (*double[]*) -- Incoming energies at which distributions exist
:Attributes:
- **interpolation** (*double[2][]*) -- Breakpoints and
interpolation codes for incoming energy regions
- **energy_out** (*double[5][]*) -- Distribution of outgoing energies
corresponding to each incoming energy. The distributions are
flattened into a single array; the start of a given distribution
can be determined using the ``offsets`` attribute. The first row
gives outgoing energies, the second row gives the probability
density, the third row gives the cumulative distribution, the
fourth row gives interpolation codes for angular distributions, and
the fifth row gives offsets for angular distributions.
:Attributes: - **offsets** (*double[]*) -- Offset for each
distribution
- **interpolation** (*int[]*) -- Interpolation code
for each distribution
- **n_discrete_lines** (*int[]*) -- Number of discrete
lines in each distribution
- **mu** (*double[3][]*) -- Distribution of angular cosines
corresponding to each pair of incoming and outgoing energies. The
distributions are flattened into a single array; the start of a
given distribution can be determined using offsets in the fifth row
of the ``energy_out`` dataset. The first row gives angular cosines,
the second row gives the probability density, and the third row
gives the cumulative distribution.
Kalbach-Mann
------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'kalbach-mann'
:Datasets: - **energy** (*double[]*) -- Incoming energies at which distributions exist
:Attributes:
- **interpolation** (*double[2][]*) -- Breakpoints and
interpolation codes for incoming energy regions
- **distribution** (*double[5][]*) -- Distribution of outgoing
energies and angles corresponding to each incoming energy. The
distributions are flattened into a single array; the start of a
given distribution can be determined using the ``offsets``
attribute. The first row gives outgoing energies, the second row
gives the probability density, the third row gives the cumulative
distribution, the fourth row gives Kalbach-Mann precompound
factors, and the fifth row gives Kalbach-Mann angular distribution
slopes.
:Attributes: - **offsets** (*double[]*) -- Offset for each
distribution
- **interpolation** (*int[]*) -- Interpolation code
for each distribution
- **n_discrete_lines** (*int[]*) -- Number of discrete
lines in each distribution
N-Body Phase Space
------------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'nbody'
- **total_mass** (*double*) -- Total mass of product particles
- **n_particles** (*int*) -- Number of product particles
- **atomic_weight_ratio** (*double*) -- Atomic weight ratio of the
target nuclide in neutron masses
- **q_value** (*double*) -- Q value for the reaction in eV
Coherent Elastic
----------------
This angle-energy distribution is used specifically for coherent elastic thermal
neutron scattering.
:Object type: Group
:Attributes: - **type** (*char[]*) -- "coherent_elastic"
:Hard link: - **xs** -- Link to the coherent elastic scattering cross section
Incoherent Elastic
------------------
This angle-energy distribution is used specifically for incoherent elastic
thermal neutron scattering (derived from an ENDF file directly).
:Object type: Group
:Attributes: - **type** (*char[]*) -- "incoherent_elastic"
:Datasets:
- **debye_waller** (*double*) -- Debye-Waller integral in
[eV\ :math:`^{-1}`]
Incoherent Elastic (Discrete)
-----------------------------
This angle-energy distribution is used for discretized incoherent elastic
thermal neutron scattering distributions that are present in ACE files.
:Object type: Group
:Attributes: - **type** (*char[]*) -- "incoherent_elastic_discrete"
:Datasets:
- **mu_out** (*double[][]*) -- Equiprobable discrete outgoing
angles for each incident neutron energy tabulated
Incoherent Inelastic
--------------------
This angle-energy distribution is used specifically for (continuous) incoherent
inelastic thermal neutron scattering.
:Object type: Group
:Attributes: - **type** (*char[]*) -- "incoherent_inelastic"
:Datasets: The datasets for this angle-energy distribution are the same as for
:ref:`correlated angle-energy distributions
<correlated_angle_energy>`.
Incoherent Inelastic (Discrete)
-------------------------------
This angle-energy distribution is used specifically for incoherent inelastic
thermal neutron scattering where the distributions have been discretized into
equiprobable bins.
:Object type: Group
:Attributes: - **type** (*char[]*) -- "incoherent_inelastic_discrete"
:Datasets: - **energy_out** (*double[][]*) -- Distribution of outgoing
energies for each incoming energy.
- **mu_out** (*double[][][]*) -- Distribution of scattering cosines
for each pair of incoming and outgoing energies.
- **skewed** (*int8_t*) -- Whether discrete angles are equi-probable
(0) or have a skewed distribution (1).
.. _energy_distribution:
--------------------
Energy Distributions
--------------------
Maxwell
-------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'maxwell'
- **u** (*double*) -- Restriction energy in eV
:Datasets:
- **theta** (:ref:`tabulated <1d_tabulated>`) -- Maxwellian
temperature as a function of energy
Evaporation
-----------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'evaporation'
- **u** (*double*) -- Restriction energy in eV
:Datasets:
- **theta** (:ref:`tabulated <1d_tabulated>`) -- Evaporation
temperature as a function of energy
Watt Fission Spectrum
---------------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'watt'
- **u** (*double*) -- Restriction energy in eV
:Datasets: - **a** (:ref:`tabulated <1d_tabulated>`) -- Watt parameter :math:`a`
as a function of incident energy
- **b** (:ref:`tabulated <1d_tabulated>`) -- Watt parameter :math:`b`
as a function of incident energy
Madland-Nix
-----------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'watt'
- **efl** (*double*) -- Average energy of light fragment in eV
- **efh** (*double*) -- Average energy of heavy fragment in eV
Discrete Photon
---------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'discrete_photon'
- **primary_flag** (*int*) -- Whether photon is a primary
- **energy** (*double*) -- Photon energy in eV
- **atomic_weight_ratio** (*double*) -- Atomic weight ratio of
target nuclide in neutron masses
Level Inelastic
---------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'level'
- **threshold** (*double*) -- Energy threshold in the laboratory
system in eV
- **mass_ratio** (*double*) -- :math:`(A/(A + 1))^2`
Continuous Tabular
------------------
:Object type: Group
:Attributes: - **type** (*char[]*) -- 'continuous'
:Datasets: - **energy** (*double[]*) -- Incoming energies at which distributions exist
:Attributes:
- **interpolation** (*double[2][]*) -- Breakpoints and
interpolation codes for incoming energy regions
- **distribution** (*double[3][]*) -- Distribution of outgoing
energies corresponding to each incoming energy. The distributions
are flattened into a single array; the start of a given
distribution can be determined using the ``offsets`` attribute. The
first row gives outgoing energies, the second row gives the
probability density, and the third row gives the cumulative
distribution.
:Attributes: - **offsets** (*double[]*) -- Offset for each
distribution
- **interpolation** (*int[]*) -- Interpolation code
for each distribution
- **n_discrete_lines** (*int[]*) -- Number of discrete
lines in each distribution

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.. _io_particle_restart:
============================
Particle Restart File Format
============================
The current version of the particle restart file format is 2.0.
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
- **version** (*int[2]*) -- Major and minor version of the particle
restart file format.
- **openmc_version** (*int[3]*) -- Major, minor, and release
version number for OpenMC.
- **git_sha1** (*char[40]*) -- Git commit SHA-1 hash.
:Datasets: - **current_batch** (*int*) -- The number of batches already
simulated.
- **generations_per_batch** (*int*) -- Number of generations per
batch.
- **current_generation** (*int*) -- The number of generations already
simulated.
- **n_particles** (*int8_t*) -- Number of particles used per
generation.
- **run_mode** (*char[]*) -- Run mode used, either 'fixed source',
'eigenvalue', or 'particle restart'.
- **id** (*int8_t*) -- Unique identifier of the particle.
- **weight** (*double*) -- Weight of the particle.
- **energy** (*double*) -- Energy of the particle in eV for
continuous-energy mode, or the energy group of the particle for
multi-group mode.
- **xyz** (*double[3]*) -- Position of the particle.
- **uvw** (*double[3]*) -- Direction of the particle.

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.. _io_plots:
============================================
Geometry Plotting Specification -- plots.xml
============================================
Basic plotting capabilities are available in OpenMC by creating a plots.xml file
and subsequently running with the ``--plot`` command-line flag. The root element
of the plots.xml is simply ``<plots>`` and any number output plots can be
defined with ``<plot>`` sub-elements. Two plot types are currently implemented
in openMC:
* ``slice`` 2D pixel plot along one of the major axes. Produces a PPM image
file.
* ``voxel`` 3D voxel data dump. Produces a binary file containing voxel xyz
position and cell or material id.
------------------
``<plot>`` Element
------------------
Each plot is specified by a combination of the following attributes or
sub-elements:
:id:
The unique ``id`` of the plot.
*Default*: None - Required entry
:filename:
Filename for the output plot file.
*Default*: "plot"
:color_by:
Keyword for plot coloring. This can be either "cell" or "material", which
colors regions by cells and materials, respectively. For voxel plots, this
determines which id (cell or material) is associated with each position.
*Default*: "cell"
:level:
Universe depth to plot at (optional). This parameter controls how many
universe levels deep to pull cell and material ids from when setting plot
colors. If a given location does not have as many levels as specified,
colors will be taken from the lowest level at that location. For example, if
``level`` is set to zero colors will be taken from top-level (universe zero)
cells only. However, if ``level`` is set to 1 colors will be taken from
cells in universes that fill top-level fill-cells, and from top-level cells
that contain materials.
*Default*: Whatever the deepest universe is in the model
:origin:
Specifies the (x,y,z) coordinate of the center of the plot. Should be three
floats separated by spaces.
*Default*: None - Required entry
:width:
Specifies the width of the plot along each of the basis directions. Should
be two or three floats separated by spaces for 2D plots and 3D plots,
respectively.
*Default*: None - Required entry
:type:
Keyword for type of plot to be produced. Currently only "slice" and "voxel"
plots are implemented. The "slice" plot type creates 2D pixel maps saved in
the PPM file format. PPM files can be displayed in most viewers (e.g. the
default Gnome viewer, IrfanView, etc.). The "voxel" plot type produces a
binary datafile containing voxel grid positioning and the cell or material
(specified by the ``color`` tag) at the center of each voxel. These
datafiles can be processed into VTK files using the :ref:`scripts_voxel`
script provided with OpenMC, and subsequently viewed with a 3D viewer such
as VISIT or Paraview. See the :ref:`io_voxel` for information about the
datafile structure.
.. note:: Since the PPM format is saved without any kind of compression,
the resulting file sizes can be quite large. Saving the image in
the PNG format can often times reduce the file size by orders of
magnitude without any loss of image quality. Likewise,
high-resolution voxel files produced by OpenMC can be quite large,
but the equivalent VTK files will be significantly smaller.
*Default*: "slice"
``<plot>`` elements of ``type`` "slice" and "voxel" must contain the ``pixels``
attribute or sub-element:
:pixels:
Specifies the number of pixels or voxels to be used along each of the basis
directions for "slice" and "voxel" plots, respectively. Should be two or
three integers separated by spaces.
.. warning:: The ``pixels`` input determines the output file size. For the
PPM format, 10 million pixels will result in a file just under
30 MB in size. A 10 million voxel binary file will be around
40 MB.
.. warning:: If the aspect ratio defined in ``pixels`` does not match the
aspect ratio defined in ``width`` the plot may appear stretched
or squeezed.
.. warning:: Geometry features along a basis direction smaller than
``width``/``pixels`` along that basis direction may not appear
in the plot.
*Default*: None - Required entry for "slice" and "voxel" plots
``<plot>`` elements of ``type`` "slice" can also contain the following
attributes or sub-elements. These are not used in "voxel" plots:
:basis:
Keyword specifying the plane of the plot for "slice" type plots. Can be
one of: "xy", "xz", "yz".
*Default*: "xy"
:background:
Specifies the RGB color of the regions where no OpenMC cell can be found.
Should be three integers separated by spaces.
*Default*: 0 0 0 (black)
:color:
Any number of this optional tag may be included in each ``<plot>`` element,
which can override the default random colors for cells or materials. Each
``color`` element must contain ``id`` and ``rgb`` sub-elements.
:id:
Specifies the cell or material unique id for the color specification.
:rgb:
Specifies the custom color for the cell or material. Should be 3 integers
separated by spaces.
As an example, if your plot is colored by material and you want material 23
to be blue, the corresponding ``color`` element would look like:
.. code-block:: xml
<color id="23" rgb="0 0 255" />
*Default*: None
:mask:
The special ``mask`` sub-element allows for the selective plotting of *only*
user-specified cells or materials. Only one ``mask`` element is allowed per
``plot`` element, and it must contain as attributes or sub-elements a
background masking color and a list of cells or materials to plot:
:components:
List of unique ``id`` numbers of the cells or materials to plot. Should be
any number of integers separated by spaces.
:background:
Color to apply to all cells or materials not in the ``components`` list of
cells or materials to plot. This overrides any ``color`` color
specifications.
*Default*: 255 255 255 (white)
:meshlines:
The ``meshlines`` sub-element allows for plotting the boundaries of a
regular mesh on top of a plot. Only one ``meshlines`` element is allowed per
``plot`` element, and it must contain as attributes or sub-elements a mesh
type and a linewidth. Optionally, a color may be specified for the overlay:
:meshtype:
The type of the mesh to be plotted. Valid options are "tally", "entropy",
"ufs", and "cmfd". If plotting "tally" meshes, the id of the mesh to plot
must be specified with the ``id`` sub-element.
:id:
A single integer id number for the mesh specified on ``tallies.xml`` that
should be plotted. This element is only required for ``meshtype="tally"``.
:linewidth:
A single integer number of pixels of linewidth to specify for the mesh
boundaries. Specifying this as 0 indicates that lines will be 1 pixel
thick, specifying 1 indicates 3 pixels thick, specifying 2 indicates
5 pixels thick, etc.
:color:
Specifies the custom color for the meshlines boundaries. Should be 3
integers separated by whitespace. This element is optional.
*Default*: 0 0 0 (black)
*Default*: None

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.. _io_source:
==================
Source File Format
==================
Normally, source data is stored in a state point file. However, it is possible
to request that the source be written separately, in which case the format used
is that documented here.
When surface source writing is triggered, a source file named
``surface_source.h5`` is written with only the sources on specified surfaces,
following the same format.
**/**
:Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
:Datasets:
- **source_bank** (Compound type) -- Source bank information for each
particle. The compound type has fields ``r``, ``u``, ``E``,
``wgt``, ``delayed_group``, ``surf_id`` and ``particle``,
which represent the position, direction, energy, weight,
delayed group, surface ID, and particle type (0=neutron, 1=photon,
2=electron, 3=positron), respectively.

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