LICENSE
README.md
pyproject.toml
setup.cfg
src/qchem_inputgen/__init__.py
src/qchem_inputgen/__main__.py
src/qchem_inputgen/cli.py
src/qchem_inputgen/qchem.py
src/qchem_inputgen/xyz.py
src/qchem_inputgen.egg-info/PKG-INFO
src/qchem_inputgen.egg-info/SOURCES.txt
src/qchem_inputgen.egg-info/dependency_links.txt
src/qchem_inputgen.egg-info/entry_points.txt
src/qchem_inputgen.egg-info/top_level.txt
tests/test_cli_smoke.py
tests/test_qchem_render.py
tests/test_xyz.py