.gitignore
.pre-commit-config.yaml
CHANGELOG.md
DEVELOPMENT.md
HEADER
LICENSE
MANIFEST.in
README.md
pyproject.toml
updateheaders.py
src/castepkit/__init__.py
src/castepkit/_version.py
src/castepkit/atom_cutting.py
src/castepkit/ome.py
src/castepkit/shg.py
src/castepkit/utils.py
src/castepkit/weighted_dens.py
src/castepkit.egg-info/PKG-INFO
src/castepkit.egg-info/SOURCES.txt
src/castepkit.egg-info/dependency_links.txt
src/castepkit.egg-info/entry_points.txt
src/castepkit.egg-info/requires.txt
src/castepkit.egg-info/top_level.txt
tests/test_shg.py