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libxc

6.2.2

Library of exchange-correlation functionals for DFT

Libxc is 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 all the ETSF codes and also other codes. In libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental). See also: <https://gitlab.com/libxc/libxc>.

Origin: science/libxc

Category: science

Size: 45.8MiB

License: MPL20

Maintainer: yuri@FreeBSD.org

Dependencies: 2 packages

Required by: 18 packages

Website: gitlab.com/libxc/libxc

$pkg install libxc

Dependencies (2)

python311 gcc14

Required By (18 packages)

abinit atompaw bagel elk-chemistry erkale erkale-serial helfem jdftx libgridxc madness octopus openmolcas psi4 py311-gpaw py311-pyscf sirius-quantum-chemistry v_sim votca

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