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Pakket: libxc9 (5.2.3-1 en anderen)

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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.

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Pakket downloaden voor alle beschikbare platforms
Platform Versie Pakketgrootte Geïnstalleerde grootte Bestanden
alpha (unofficial port) 5.2.3-1+b1 4.651,4 kB11.679,0 kB [overzicht]
amd64 5.2.3-1+b2 3.772,9 kB11.941,0 kB [overzicht]
arm64 5.2.3-1+b2 3.543,3 kB7.968,0 kB [overzicht]
armel 5.2.3-1+b2 4.532,0 kB19.196,0 kB [overzicht]
armhf 5.2.3-1+b2 3.458,0 kB9.052,0 kB [overzicht]
hppa (unofficial port) 5.2.3-1+b1 4.211,6 kB13.459,0 kB [overzicht]
i386 5.2.3-1+b2 2.504,1 kB9.286,0 kB [overzicht]
ia64 (unofficial port) 5.2.3-1 7.083,4 kB28.718,0 kB [overzicht]
loong64 (unofficial port) 5.2.3-1+b1 3.991,2 kB9.424,0 kB [overzicht]
m68k (unofficial port) 5.2.3-1+b1 2.506,3 kB10.754,0 kB [overzicht]
mips64el 5.2.3-1+b2 4.065,0 kB8.967,0 kB [overzicht]
ppc64 (unofficial port) 5.2.3-1+b1 3.655,0 kB8.548,0 kB [overzicht]
ppc64el 5.2.3-1+b2 3.833,1 kB8.288,0 kB [overzicht]
riscv64 5.2.3-1+b2 4.216,4 kB8.515,0 kB [overzicht]
s390x 5.2.3-1+b2 3.649,6 kB8.611,0 kB [overzicht]
sh4 (unofficial port) 5.2.3-1+b1 4.021,8 kB13.516,0 kB [overzicht]
sparc64 (unofficial port) 5.2.3-1+b1 3.615,9 kB12.581,0 kB [overzicht]
x32 (unofficial port) 5.2.3-1+b1 3.783,0 kB11.751,0 kB [overzicht]