.editorconfig
.gitignore
.pre-commit-config.yaml
HEADER
LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements.txt
tox.ini
.github/workflows/jupyter.yaml
.github/workflows/pypi_release.yaml
.github/workflows/pytest.yaml
.github/workflows/website.yaml
doc/README.md
doc/conf.py
doc/conventions.rst
doc/gen_api.sh
doc/gen_table_onedgrids.py
doc/gen_table_rtransform.py
doc/index.rst
doc/installation.rst
doc/onedgrids.rst
doc/radial_transf.rst
doc/table_angular_lebedev.csv
doc/table_angular_spherical.csv
doc/table_modules.csv
doc/table_onedgrids.csv
doc/table_rtransform.csv
doc/_static/css/override.css
doc/images/grid_logo.png
doc/images/grid_logo.svg
doc/images/grid_logo_website.png
doc/images/grid_logo_website.svg
doc/notebooks/angular_grid.nblink
doc/notebooks/atom_grid.nblink
doc/notebooks/atom_grid_construction.nblink
doc/notebooks/cubic_grid.nblink
doc/notebooks/interpolation_poisson.nblink
doc/notebooks/molecular_grid.nblink
doc/notebooks/molecular_grid_construction.nblink
doc/notebooks/multipole_moments.nblink
doc/notebooks/one_dimensional_grids.nblink
doc/notebooks/quickstart.nblink
examples/Angular_grid.ipynb
examples/Atom_Grid.ipynb
examples/Atom_Grid_Construction.ipynb
examples/Cubic_Grids.ipynb
examples/He_t.fchk
examples/Interpolation_and_Poisson.ipynb
examples/JCP_Paper.ipynb
examples/Molecular_Grid.ipynb
examples/Molecular_Grid_Construction.ipynb
examples/Multipole_Moments.ipynb
examples/One_dimensional_grids.ipynb
examples/Quickstart.ipynb
examples/ch2o_q+0.fchk
examples/ch2o_q+1.fchk
examples/ch2o_q-1.fchk
examples/h2o.fchk
src/grid/__init__.py
src/grid/_version.py
src/grid/angular.py
src/grid/atomgrid.py
src/grid/basegrid.py
src/grid/becke.py
src/grid/cubic.py
src/grid/hirshfeld.py
src/grid/molgrid.py
src/grid/ode.py
src/grid/onedgrid.py
src/grid/periodicgrid.py
src/grid/poisson.py
src/grid/rtransform.py
src/grid/utils.py
src/grid/data/__init__.py
src/grid/data/lebedev/__init__.py
src/grid/data/lebedev/lebedev_101_3470.npz
src/grid/data/lebedev/lebedev_107_3890.npz
src/grid/data/lebedev/lebedev_113_4334.npz
src/grid/data/lebedev/lebedev_119_4802.npz
src/grid/data/lebedev/lebedev_11_50.npz
src/grid/data/lebedev/lebedev_125_5294.npz
src/grid/data/lebedev/lebedev_131_5810.npz
src/grid/data/lebedev/lebedev_13_74.npz
src/grid/data/lebedev/lebedev_15_86.npz
src/grid/data/lebedev/lebedev_17_110.npz
src/grid/data/lebedev/lebedev_19_146.npz
src/grid/data/lebedev/lebedev_21_170.npz
src/grid/data/lebedev/lebedev_23_194.npz
src/grid/data/lebedev/lebedev_25_230.npz
src/grid/data/lebedev/lebedev_27_266.npz
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src/grid/data/proatoms/__init__.py
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src/grid/data/prune_grid/__init__.py
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src/grid/data/prune_grid/prune_grid_insane.npz
src/grid/data/prune_grid/prune_grid_medium.npz
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src/grid/data/prune_grid/prune_grid_sg_2.npz
src/grid/data/prune_grid/prune_grid_sg_3.npz
src/grid/data/prune_grid/prune_grid_ultrafine.npz
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src/grid/data/spherical_design/__init__.py
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src/grid/data/spherical_design/spherical_103_5358.npz
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src/grid/tests/test_becke.py
src/grid/tests/test_cubic.py
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src/grid/tests/test_molgrid.py
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