Libxc

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Description

Library of exchange-correlation functionals for density-functional theory.

Availability

Versions 2.1.2-gcc, 2.2.2-gcc and 4.2.1.

Use

module add libxc-4.2.1 

Documentation

https://gitlab.com/libxc/libxc

Licence

Mozilla Public License Version 2.0

Program manager

meta@cesnet.cz