.gitignore
.gitlab-ci.yml
README.md
build.sh
meta.yaml
pyproject.toml
quicktest.py
run_test.sh
setup.py
docs/Makefile
docs/background.rst
docs/community_guidelines.rst
docs/conf.py
docs/examples.rst
docs/index.rst
docs/installation.rst
docs/make.bat
docs/user_interface.rst
docs/_static/css/custom.css
docs/_static/img/pydft_128px.png
docs/_static/img/pydft_192px.png
docs/_static/img/pydft_256px.png
docs/_static/img/pydft_500px.png
docs/_templates/breadcrumbs.html
examples/benzene_atomic_cells.py
examples/bonding_analysis_co.py
examples/co.py
examples/co_xc.py
examples/h2.py
pydft/__init__.py
pydft/_version.py
pydft/angulargrid.py
pydft/atomicgrid.py
pydft/bragg_slater.py
pydft/dft.py
pydft/moleculargrid.py
pydft/molecule_builder.py
pydft/spherical_harmonics.py
pydft/xcfunctionals.py
pydft/molecules/benzene.xyz
pydft/molecules/bf3.xyz
pydft/molecules/ch4.xyz
pydft/molecules/co.xyz
pydft/molecules/co2.xyz
pydft/molecules/ethylene.xyz
pydft/molecules/h2.xyz
pydft/molecules/h2o.xyz
pydft/molecules/he.xyz
pydft/molecules/lih.xyz
pydft/molecules/nh3.xyz
pydft/pydft.egg-info/PKG-INFO
pydft/pydft.egg-info/SOURCES.txt
pydft/pydft.egg-info/dependency_links.txt
pydft/pydft.egg-info/not-zip-safe
pydft/pydft.egg-info/requires.txt
pydft/pydft.egg-info/top_level.txt
tests/test_dft.py
tests/test_moleculargrid.py
tests/test_version.py
tests/test_xc.py