alla flaggor
buster  ] [  bullseye  ]
[ Källkod: libxc  ]

Paket: libxc5 (4.3.4-2)

Länkar för libxc5

Screenshot

Debianresurser:

Hämta källkodspaketet libxc:

Ansvariga:

Externa resurser:

Liknande paket:

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 libxc5

  • beror
  • rekommenderar
  • föreslår
  • enhances

Hämta libxc5

Hämtningar för alla tillgängliga arkitekturer
Arkitektur Paketstorlek Installerad storlek Filer
i386 1.323,2 kbyte4.983,0 kbyte [filförteckning]