PyLibxc is a python-bound C library of exchange and correlation functionals for density-functional (DFT) theory.
Project description
Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by a variety of programs.
For more information, please check the manual at http://www.tddft.org/programs/Libxc
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pylibxc7-7.0.0.tar.gz
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