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PyLibxc is a python-bound C library of exchange and correlation functionals for density-functional (DFT) theory.

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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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