Paket: libint2-2 (2.6.0-13)

[ Källkod: libint2  ]

Computation Chemistry Integral Evaluation Library

The LIBINT library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor).

LIBINT has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moeller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods.

This package contains the shared library.

Märken: Role: Shared Library

Andra paket besläktade med libint2-2

• dep: libc6 (>= 2.17) [arm64, ppc64el]

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

  dep: libc6 (>= 2.4) [ej arm64, ppc64el]

• dep: libgcc-s1 (>= 3.5) [armel, armhf]

  GCC stödbibliotek

• dep: libstdc++6 (>= 4.1.1)

  GNU standardbibliotek v3 för C++

Hämta libint2-2

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	4.090,2 kbyte	35.344,0 kbyte	[filförteckning]
arm64	4.292,5 kbyte	26.092,0 kbyte	[filförteckning]
armel	4.073,9 kbyte	21.484,0 kbyte	[filförteckning]
armhf	2.255,8 kbyte	12.036,0 kbyte	[filförteckning]
i386	3.555,1 kbyte	30.400,0 kbyte	[filförteckning]
mips64el	4.016,2 kbyte	30.511,0 kbyte	[filförteckning]
mipsel	1.651,1 kbyte	14.352,0 kbyte	[filförteckning]
ppc64el	3.918,6 kbyte	27.708,0 kbyte	[filförteckning]
s390x	3.814,9 kbyte	29.792,0 kbyte	[filförteckning]