[ experimental ]
[ Bron: libxc ]
Pakket: libxc15 (7.0.0-1)
Verwijzigingen voor libxc15
Debian bronnen:
Het bronpakket libxc downloaden:
Beheerders:
Externe bronnen:
- Homepage [libxc.gitlab.io]
Vergelijkbare pakketten:
Experimenteel pakket
Warning: This package is from the experimental distribution. That means it is likely unstable or buggy, and it may even cause data loss. Please be sure to consult the changelog and other possible documentation before using it.
Library of Exchange-Correlation Functionals
LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. Supported XC functionals include:
* Local Density Approximation (LDA) functionals including Slater exchange, and VWN, Perdew-Zunger or PADE correlation. * Generalized Gradient Approximation (GGA) XC functionals including PBE, PW91, BLYP, HCTH93, HCTH120, HCTH147, HCTH407, as well as B88 exchange and LYP or P86 correlation. * Hybrid XC functionals including B3LYP, PBE0, B97, X3LYP, BHANDH, HSE03 and HSE06. * Meta-GGA XC functionals including TPSS, M05 and M06.
Andere aan libxc15 gerelateerde pakketten
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- dep: libc6 (>= 2.29)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications