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.gitignore
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################################################################################
#
# Files for git to ignore
#
################################################################################
# MacOS files
.DS_Store
# Compiled Python modules
*.pyc
*.so
*.pyd
# Image files generated by RMG
*.png
*.svg
*.pdf
# Temporary build files
build/*
# Compiled documentation
documentation/build/*
# Compilation helper files
# (These will be unique to each developer's setup)
make.inc
# output files
rmgpy/output/*
# NetBeans project files
nbproject/*
# Eclipse project files
.project
.pydevproject
.settings/*
# PyCharm project files
*/.idea/*
.idea/*
# VS Code settings
*/.vscode/*
.vscode/*
# Unit test files
.coverage
testing/*
htmlcov/*
# Quantum Mechanics temporary, cache, and result files
QMfiles/*
QMscratch/*
# Solver settings file
rmgpy/solver/settings.pxi
# bin/symmetry
bin/symmetry
# ipython checkpoints
**/.ipynb_checkpoints/**
# cantera files
*.cti
# csv files
*.csv
# ipython folder except for notebooks
ipython/*
!ipython/*.ipynb
# Q2DTor
external/Q2DTor
# egg files (pip install -e)
RMG_Py.egg-info/*
# deleted files
**/.fuse_hidden*
# RMG configuration file
rmgpy/rmgrc
# treegen log files
scripts/treegen.log
scripts/treegen_backup.log
# regression testing files - ignore everything but input and regression input
test/regression/*
!test/regression/*/input.py
!test/regression/*/regression_input.py
# testing files
test/arkane/data/two_parameter_arrhenius_fit/arkane.log
test/arkane/data/two_parameter_arrhenius_fit/output.py
test/arkane/data/two_parameter_arrhenius_fit/chem.inp
test/rmgpy/test_data/temp_dir_for_testing/cantera/chem001.yaml
rmgpy/test_data/copied_kinetic_lib/
testing/qm/*
test_log.txt
# example directory - save the inputs but not the outputs
# cantera input files
examples/**/chem.inp
# log files from the runs
examples/**/arkane.log
# results from the runs
examples/**/species_dictionary.txt
examples/**/output*py
examples/**/network*py
examples/**/dictionary.txt
examples/**/reactions.py
examples/**/RMG_libraries
examples/**/species