Paket: libxc9 (5.2.3-1 och andra) [debports]

[ Källkod:  ]

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.

Andra paket besläktade med libxc9

• dep: libc6 (>= 2.29)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libgfortran5 (>= 10)

  Runtime library for GNU Fortran applications

Hämta libxc9

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
hppa (inofficiell anpassning)	5.2.3-1+b1	4.211,6 kbyte	13.459,0 kbyte	[filförteckning]