LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
setup.py
.github/workflows/build-docs.yml
.github/workflows/build-n-publish.yml
.github/workflows/lint-code.yml
.github/workflows/run-tests.yml
docs/api.md
docs/background.md
docs/contributing.md
docs/index.md
docs/installation.md
docs/tutorial.md
docs/images/.gitkeep
docs/images/1FAD6_color.png
tests/.gitkeep
tests/conftest.py
tests/test_calculations.py
tests/data/BaS_Fm-3m.dat
tests/data/BaS_hse06_outfile
tests/data/BaS_pbesol_relax_outfile
thermopot/__init__.py
thermopot/calculations.py
thermopot/interpolate.py
thermopot/materials.py
thermopot/plots.py
thermopot/reactions.py