2019-05-04 21:56:18 +02:00
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<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="project">
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<email>sci@gentoo.org</email>
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<name>Gentoo Science Project</name>
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</maintainer>
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<maintainer type="person">
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<email>Hloupy.Honza@centrum.cz</email>
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<name>Honza Macháček</name>
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</maintainer>
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<longdescription lang="en">
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Libxc is a library of exchange-correlation functionals for density-functional theory.
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The aim is to provide a portable, well tested and reliable set of exchange and correlation
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functionals that can be used by all the ETSF codes and also other codes.
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In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental).
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These functionals depend on local information, in the sense that the value of the potential
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at a given point depends only on the values of the density -- and the gradient of the density
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and the kinetic energy density, for the GGA and mGGA cases.
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It can calculate the functional itself and its derivative; for some functionals,
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higher-order derivatives are available.
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Libxc is written in C and has Fortran bindings. It is released under the MPL2 license.
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Contributions are welcome.
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</longdescription>
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<upstream>
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2020-12-27 07:50:47 -05:00
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<remote-id type="gitlab">libxc/libxc</remote-id>
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2019-05-04 21:56:18 +02:00
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<doc>http://octopus-code.org/wiki/Libxc:manual</doc>
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</upstream>
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</pkgmetadata>
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