# Python
*.pyc
__pycache__/
*.egg-info/
dist/
build/
MANIFEST

# Test / coverage
.coverage
.pytest_cache/

# IDE
.idea/
.vscode/

# OS
.DS_Store

# Project output
GoodVibes_*.dat
*.csv
*.xyz
!tests/xtb/*.xyz
*.slurm_*.out
selectivity_example/
sandbox/
goodvibes/examples/pes_separated/
goodvibes/examples/selectivity_separated/

# Claude Code
.claude
CLAUDE.md
Issues.md
TODO
goodvibes/210722_Database_of_Freq_Scale_Factors_v5.pdf
orca.json
