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‎.gitignore‎

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# Byte-compiled / optimized / DLL files
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__pycache__/
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*.py[cod]
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*$py.class
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# C extensions
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*.so
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# Distribution / packaging
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.Python
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build/
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develop-eggs/
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dist/
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downloads/
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eggs/
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.eggs/
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lib/
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lib64/
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parts/
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sdist/
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var/
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wheels/
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pip-wheel-metadata/
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share/python-wheels/
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*.egg-info/
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.installed.cfg
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*.egg
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MANIFEST
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# PyInstaller
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# Usually these files are written by a python script from a template
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# before PyInstaller builds the exe, so as to inject date/other infos into it.
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*.manifest
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*.spec
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# Installer logs
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pip-log.txt
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pip-delete-this-directory.txt
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# Unit test / coverage reports
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htmlcov/
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.tox/
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.nox/
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.coverage
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.coverage.*
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.cache
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nosetests.xml
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coverage.xml
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*.cover
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*.py,cover
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.hypothesis/
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.pytest_cache/
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# Translations
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*.mo
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*.pot
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# Django stuff:
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*.log
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local_settings.py
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db.sqlite3
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db.sqlite3-journal
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# Flask stuff:
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instance/
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.webassets-cache
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# Scrapy stuff:
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.scrapy
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# Sphinx documentation
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docs/_build/
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# PyBuilder
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target/
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# Jupyter Notebook
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.ipynb_checkpoints
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# IPython
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profile_default/
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ipython_config.py
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# pyenv
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.python-version
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# pipenv
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# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
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# However, in case of collaboration, if having platform-specific dependencies or dependencies
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# having no cross-platform support, pipenv may install dependencies that don't work, or not
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# install all needed dependencies.
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#Pipfile.lock
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# PEP 582; used by e.g. github.com/David-OConnor/pyflow
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__pypackages__/
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# Celery stuff
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celerybeat-schedule
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celerybeat.pid
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# SageMath parsed files
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*.sage.py
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# Environments
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.env
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.venv
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env/
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venv/
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ENV/
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env.bak/
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venv.bak/
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# Spyder project settings
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.spyderproject
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.spyproject
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# Rope project settings
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.ropeproject
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# mkdocs documentation
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/site
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# mypy
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.mypy_cache/
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.dmypy.json
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dmypy.json
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# Pyre type checker
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.pyre/
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# dagmc files
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*.h5m
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# version file
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_version.py
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*~
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*.tar.*
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*.tgz
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*.zip
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mcnp_endfb70/
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mcnp_endfb71/
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*.h5
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# standard output folders produced by data scripts
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*-ace/
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*-endf/
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*-hdf5/
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*-download/
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tendl_rand/
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# output folders made when generating chaain file, these should be standardised
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decay/
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neutrons/
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nfy/

‎LICENSE‎

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Copyright (c) 2019-2022 UChicago Argonne LLC and contributors
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Permission is hereby granted, free of charge, to any person obtaining a copy of
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this software and associated documentation files (the "Software"), to deal in
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the Software without restriction, including without limitation the rights to
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use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of
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the Software, and to permit persons to whom the Software is furnished to do so,
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subject to the following conditions:
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The above copyright notice and this permission notice shall be included in all
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copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS
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FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR
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COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER
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IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN
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CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

‎README.md‎

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[![test_urls](https://github.com/shimwell/data/actions/workflows/test_urls.yml/badge.svg)](https://github.com/shimwell/data/actions/workflows/test_urls.yml)
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[![test_package](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_package.yml)
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[![test_convert_scripts](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml/badge.svg)](https://github.com/openmc-data-storage/openmc_data/actions/workflows/test_processing.yml)
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# OpenMC Data Scripts
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This repository contains a collection of scripts for generating HDF5 data
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libraries and xml chain files that can be used with OpenMC. Some of these
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scripts convert existing ACE libraries (such as those produced by LANL) whereas
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generate scripts use NJOY to process ENDF files directly.
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Another source of data libraries for OpenMC is the [Windowed Multipole Library](https://github.com/mit-crpg/WMP_Library) repository which enables on-the-fly Doppler broadening to an arbitrary temperature.
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# Prerequisites
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You should have already installed OpenMC, see the [docs](https://docs.openmc.org/en/stable/quickinstall.html) for installation instructions.
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# Installation
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Currently the package can be installed from this temporary repository.
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```bash
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pip install openmc_data
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```
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# Usage
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Once installed several scripts are available in your terminal that are able to
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download and process nuclear data.
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The scripts accept input arguments, to find out the input arguments available
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for a particular script run the script name with ```--help``` after the name.
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For example:
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```convert_endf --help```
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Some scripts (mainly the generate scripts) require NJOY to be installed and
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added to your path.
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A few categories of scripts are available:
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<ul>
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<li>Scripts that produce h5 cross section files:</li>
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<ul>
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<li>Convert ACE files to h5 files</li>
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<li>Generate h5 file from ENDF files</li>
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<li>Download h5 files</li>
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</ul>
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<li>Scripts that produce xml chain files:</li>
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<ul>
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<li>Generate xml chain files from ENDF files:</li>
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<li>Download xml chain files:</li>
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</ul>
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<li>Other scripts that don't fall into either category.</li>
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</ul>
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## Produce Cross Section Files
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### Convert cross sections
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| Script name | Library | Release | Processed by |
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|-|-|-|-|
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|convert_mcnp70 | ENDF/B | VII.0 | LANL |
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|convert_mcnp71 | ENDF/B | VII.1 | LANL |
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|convert_endf | ENDF/B | VII.1 | NNDC |
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|convert_lib80x | ENDF/B | VIII.0 | LANL |
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|convert_fendl | FENDL | 3.2b<br>3.2a<br>3.2<br>3.1d<br>3.1a<br>3.1<br>3.0<br>2.1 |
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|convert_jeff32 | JEFF | 3.2 |
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|convert_jeff33 | JEFF | 3.3 |
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|convert_tendl | TENDL | 2015<br>2017<br>2019<br>2021 |
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### Generate cross sections
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| Script name | Library | Release | Processed by |
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|-|-|-|-|
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| generate_cendl | CENDL | 3.1<br>3.2 | |
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| generate_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
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| generate_fendl | FENDL | 3.2b<br>3.2a<br>3.2<br>3.1d<br>3.1a<br>3.0 | |
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| generate_jendl | JENDL | 4.0<br>5.0 | |
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### Download cross sections
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| Script name | Library | Release | Processed by |
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|-|-|-|-|
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| download_endf | ENDF/B | VII.1<br>VIII.0 | NNDC |
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| download_tendl | TENDL | 2019<br>2021 | |
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<!-- | Script name | Library | Release | Processed by | Download available | Downloads ACE files and convert to HDF5 | Downloads ENDF files and convert to HDF5 | Convert local ACE files |
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|-|-|-|-|-|-|-|-|
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|generate_cendl| CENDL | 3.1<br>3.2 | | | | :heavy_check_mark: | |
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|convert_mcnp70| ENDF/B | VII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/t25g7g6v0emygu50lr2ych1cf6o7454b.xz) | | | :heavy_check_mark: |
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|convert_mcnp71| ENDF/B | VII.1 | LANL | [openmc.org](https://anl.box.com/shared/static/d359skd2w6wrm86om2997a1bxgigc8pu.xz) | | | :heavy_check_mark: |
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|generate_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | | :heavy_check_mark: | |
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|convert_endf| ENDF/B | VII.1 | NNDC | [openmc.org](https://anl.box.com/shared/static/9igk353zpy8fn9ttvtrqgzvw1vtejoz6.xz) | :heavy_check_mark: | :heavy_check_mark: | |
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|convert_lib80x| ENDF/B | VIII.0 | LANL | [openmc.org](https://anl.box.com/shared/static/nd7p4jherolkx4b1rfaw5uqp58nxtstr.xz) | | | :heavy_check_mark: |
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|generate_endf| ENDF/B | VIII.0 | NNDC | [openmc.org](https://anl.box.com/shared/static/uhbxlrx7hvxqw27psymfbhi7bx7s6u6a.xz) | | :heavy_check_mark: | |
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|convert_fendl| FENDL | 2.1<br>3.0<br>3.1a<br>3.1d<br>3.2 | | [openmc.org 3.2](https://anl.box.com/shared/static/3cb7jetw7tmxaw6nvn77x6c578jnm2ey.xz) | :heavy_check_mark: | | |
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|generate_jendl| JENDL | 4.0 | | | | :heavy_check_mark: | |
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|convert_jeff32| JEFF | 3.2 | | [openmc.org](https://anl.box.com/shared/static/pb94oxriiipezysu7w4r2qdoufc2epxv.xz) | :heavy_check_mark: | | |
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|convert_jeff33| JEFF | 3.3 | | [openmc.org](https://anl.box.com/shared/static/ddetxzp0gv1buk1ev67b8ynik7f268hw.xz) | :heavy_check_mark: | | |
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|convert_tendl| TENDL | 2015<br>2017<br>2019<br>2021| | | :heavy_check_mark: | | | -->
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## Produce Depletion Chain files
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### Generate chain files
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| Script name | Library | Release |
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|-|-|-|
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|generate_endf_chain | ENDF/B | VII.1<br>VIII.0 |
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|generate_jeff_chain | JEFF | 3.3 |
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|generate_serpent_fissq | | |
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|generate_tendl_chain | TENDL | 2019<br>2021 |
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|generate_endf71_chain_casl | ENDF/B | |
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### Download chain files
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| Script name | Library | Release | Branching options|
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|-|-|-|-|
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|download_endf_chain | ENDF/B | VII.1<br>VIII.0 | None<br>SFR<br>PWR
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<!-- | Sctipt name | Library | Release | Download available | Download ENDF files and generates XML chain files |
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|-|-|-|-|-|
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|generate_endf71_chain_casl|ENDF/B|-|[https://github.com/openmc-dev/data/tree/master/depletion](https://github.com/openmc-dev/data/tree/master/depletion)|:heavy_check_mark:|
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|generate_endf_chain|ENDF/B|-|[https://github.com/openmc-dev/data/tree/master/depletion](https://github.com/openmc-dev/data/tree/master/depletion)|:heavy_check_mark:|
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|generate_serpent_fissq|-|-|[https://github.com/openmc-dev/data/tree/master/depletion](https://github.com/openmc-dev/data/tree/master/depletion)|:heavy_check_mark:|
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|generate_tendl_chain|TENDL|2019<br>2021|[https://github.com/openmc-dev/data/tree/master/depletion](https://github.com/openmc-dev/data/tree/master/depletion)|:heavy_check_mark:| -->
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## Other scripts
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| Script name | Description |
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|-|-|
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| convert_tendl_rand | Download random TENDL libraries from PSI and convert it to a HDF5 library for use with OpenMC. Only certain nuclides are available from PSI. This script generates a cross_sections_tendl.xml file with random TENDL evaluations plus a standard library located in 'OPENMC_CROSS_SECTIONS' |
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| sample_sandy | This scripts generates random (gaussian) evaluations of a nuclear data file following its covariance matrix using SANDY, and converts them to HDF5 for use in OpenMC. Script generates a cross_sections_sandy.xml file with the standard library plus the sampled evaluations. |
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| make_compton | |
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| make_stopping_powers | |
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| add_branching_ratios | add branching ratios for n,gamma reactions to a preexisting chain files. |
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| reduce_chain | |
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| combine_libraries | Combines multiple cross_section.xml files into a single cross_section.xml. |

‎pyproject.toml‎

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[build-system]
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requires = [
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"setuptools >= 65.5.0",
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"setuptools_scm[toml] >= 7.0.5",
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]
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build-backend = "setuptools.build_meta"
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[project]
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name = "openmc_data"
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authors = [
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{ name="Jonathan Shimwell", email="[email protected]" },
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]
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license = {file = "LICENSE"}
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description = "A Python package containing a collection of scripts for producing and downloading data for OpenMC"
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readme = "README.md"
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requires-python = ">=3.8"
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keywords = ["openmc", "nuclear", "data", "download", "process", "cross", "section"]
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classifiers = [
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"Programming Language :: Python :: 3",
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"License :: OSI Approved :: MIT License",
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"Operating System :: OS Independent",
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]
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dependencies = [
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"numpy>=1.21.1",
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]
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dynamic = ["version"]
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[tool.setuptools_scm]
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write_to = "src/openmc_data/_version.py"
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[project.optional-dependencies]
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tests = [
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"pytest",
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"requests"
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]
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[project.urls]
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"Homepage" = "https://github.com/fusion-energy/openmc_data"
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"Bug Tracker" = "https://github.com/fusion-energy/openmc_data/issues"
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[tool.setuptools]
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package-dir = {"" = "src"}
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[project.scripts]
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convert_fendl = "openmc_data.convert.convert_fendl:main"
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convert_jeff32 = "openmc_data.convert.convert_jeff32:main"
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convert_jeff33 = "openmc_data.convert.convert_jeff33:main"
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convert_lib80x = "openmc_data.convert.convert_lib80x:main"
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convert_mcnp70 = "openmc_data.convert.convert_mcnp70:main"
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convert_mcnp71 = "openmc_data.convert.convert_mcnp71:main"
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convert_endf = "openmc_data.convert.convert_endf:main"
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convert_tendl = "openmc_data.convert.convert_tendl:main"
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generate_cendl = "openmc_data.generate.generate_cendl:main"
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generate_endf = "openmc_data.generate.generate_endf:main"
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generate_jeff33 = "openmc_data.generate.generate_jeff33:main"
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generate_jendl = "openmc_data.generate.generate_jendl:main"
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generate_fendl = "openmc_data.generate.generate_fendl:main"
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generate_endf71_chain_casl = "openmc_data.depletion.generate_endf71_chain_casl:main"
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generate_endf_chain = "openmc_data.depletion.generate_endf_chain:main"
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generate_jeff_chain = "openmc_data.depletion.generate_jeff_chain:main"
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generate_serpent_fissq = "openmc_data.depletion.generate_serpent_fissq:main"
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generate_tendl_chain = "openmc_data.depletion.generate_tendl_chain:main"
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convert_tendl_rand = "openmc_data.other.convert_tendl_rand:main"
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make_compton = "openmc_data.other.make_compton:main"
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make_stopping_powers = "openmc_data.other.make_stopping_powers:main"
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add_branching_ratios = "openmc_data.depletion.add_branching_ratios:main"
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combine_libraries = "openmc_data.other.combine_libraries:main"
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sample_sandy = "openmc_data.other.sample_sandy:main"
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reduce_chain = "openmc_data.depletion.reduce_chain:main"
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download_endf = "openmc_data.download.download_endf:main"
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download_tendl = "openmc_data.download.download_tendl:main"
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download_endf_chain = "openmc_data.download.download_endf_chain:main"

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