# Python
__pycache__/
*.py[cod]
*.egg-info/
.venv/
venv/
dist/
build/
.pytest_cache/
.ruff_cache/
.coverage
htmlcov/

# IDE
.vscode/
.idea/

# QM / run artifacts
*.chk
*.log
*.out
*.err
*.tmp
*.molden
*.checkpoint
*.restart
*.bak
*.swp
*.swo
*.so
*.o
.DS_Store

# Local run outputs
td_input.pkl
td_results.pkl
results_*/

# Scratch / accidental root dumps
/tst*
/TST*
/CodexTest.md
/analysis/

# Local development workspace (see dev/README.md)
dev/*
!dev/README.md

# APBS run artifact (created when testing potential channel)
io.mc

/*.in
/*.xyz
/*.surf
/*.mol2
/*.csv

# Ignore files containing id_sajagbe
*id_sajagbe*
**/*id_sajagbe*
**/id_sajagbe*
