Balík: libint2-dev (2.6.0-13)

[ Zdroj: libint2  ]

Computation Chemistry Integral Evaluation Library (development files)

The Libint2 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).

Libint2 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 static library and header files.

Značky: Software Development: Knižnice, Role: Vývojová knižnica

Ostatné balíky súvisiace s balíkom libint2-dev

• dep: libint2-2 (= 2.6.0-13)

  Computation Chemistry Integral Evaluation Library

Stiahnuť libint2-dev

Stiahnuť pre všetky dostupné architektúry

Architektúra	Veľkosť balíka	Nainštalovaná veľkosť	Súbory
amd64	20,459.9 kB	98,284.0 kB	[zoznam súborov]
arm64	20,876.1 kB	89,145.0 kB	[zoznam súborov]
armel	19,892.2 kB	79,890.0 kB	[zoznam súborov]
armhf	18,783.9 kB	64,312.0 kB	[zoznam súborov]
i386	20,013.3 kB	88,439.0 kB	[zoznam súborov]
mips64el	21,071.8 kB	101,395.0 kB	[zoznam súborov]
mipsel	18,330.1 kB	67,241.0 kB	[zoznam súborov]
ppc64el	20,395.9 kB	92,105.0 kB	[zoznam súborov]
s390x	20,248.4 kB	91,900.0 kB	[zoznam súborov]