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Author:
Ivan Yu. Chernyshov
Summary:
Reproducible spherical proatomic radial density datasets and generator.
Latest version:
2.0.0
Required dependencies:
numpy
|
pyyaml
|
scipy
Optional dependencies:
basis-set-exchange
|
build
|
jupyter
|
matplotlib
|
mkdocs
|
mkdocs-jupyter
|
mkdocs-material
|
pandas
|
pyscf
|
pytest
|
ruff
|
twine
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