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Summary:
Document and code of python and PySCF approach XYG3 type of density functional realization
Latest version:
0.0.7
Required dependencies:
codecov
|
docopt
|
h5py
|
jupyter
|
jupyter-contrib-nbextensions
|
matplotlib
|
nbsphinx
|
numpy
|
opt-einsum
|
pandoc
|
pyberny
|
pyscf
|
pytest-cov
|
scipy
|
sphinx
|
sphinx-rtd-theme
|
sphinxcontrib-bibtex
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