# Python
__pycache__/
*.py[cod]
*.egg-info/
dist/
build/
.eggs/

# Environments
.venv/
venv/

# Tooling caches
.pytest_cache/
.ruff_cache/
.mypy_cache/

# OS
.DS_Store

# Calculation outputs (never commit student/test run artifacts)
*.chk
DOS_*.pdf
DOS_*.csv
DOS_*.txt
relax_*.txt
WF_*/
vib_movies_*/
*-finish.xyz

# Outputs with the new naming convention (<input>_<kind>.*)
*_relax.txt
*_dos.pdf
*_dos.csv
*_dos.txt
*_orbitals/
*_vibmovie/
result.json

# Course slides and original tutorials (local reference; not for the public repo)
slides/
example/example_all/
example_all/

# Superseded original scripts: kept locally for reference, not published
legacy/
