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.gitignore
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# Environment-related files
/.venv
# IDE-specific files
/.vscode
# Results and test directories
xppbe/Test.yaml
xppbe/Test.py
xppbe/Test/
notebooks/analysis/other/
xppbe/results
/.results
xppbe/temp
xppbe/S_test.py
xppbe/S_temp.py
# Compiled Python files
__pycache__/
/__pycache__
*.pyc
# Temporary and Log files
~$*
results_temp*
*.log
Temp/
*.pyc
# Shell script files
pscp.bash
putty.bash
pscp_pbj.bash
pscp_sims.bash
pscp_post.bash
bash_codes/
# Test-related directories
/.test
.ipynb_checkpoints/
# Simulation-related directories
xppbe/simulations_list/*
xppbe/simulations_list/*/
!xppbe/simulations_list/Main.py
xppbe/pbj/*
xppbe/pbj/*/
!xppbe/pbj/pbj.py
xppbe/Model/pbj/*
xppbe/Model/pbj/*/
!xppbe/Model/pbj/pbj.py
!xppbe/Model/pbj/__init__.py
.pbj/
tutorials/results/
xppbe/Molecules/mesh_files/
results/
# Files related to notes
/.notes
/.notas
/.test
/.tests
/xppbe.egg-info
build/
.pytest_cache
/.Lab
/thesis
/.achom