# Python
__pycache__/
*.py[cod]
*$py.class
*.so

# Packaging
build/
dist/
*.egg-info/

# Testing and coverage
.pytest_cache/
.ruff_cache/
.mypy_cache/
.coverage
.coverage.*
coverage.xml
htmlcov/

# uv
.venv/

# rumdl
.rumdl_cache/

# direnv
.direnv/

# Editors
.idea/
.vscode/
*.swp
*.swo
*~

# OS
.DS_Store
Thumbs.db

# Environment
.env
.env.*
.app.json

# Documentation and notebooks
/site/
.ipynb_checkpoints/

# Legacy environments
.pixi/

# Scientific application output
timer.dat
psi*.clean
*.CP
*.CPC
*.lprof
pyscf.chk
local/
cyp/
msa_directory/

# Local notes and machine-specific agent settings
notes.md
/.claude/settings.local.json
