Pakiet: libint2-dev (2.6.0-13)

[ Pakiet źródłowy: 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.

Znaczniki: Rozwój oprogramowania: Biblioteki, Rola: Biblioteka deweloperska

Inne pakiety związane z libint2-dev

• dep: libint2-2 (= 2.6.0-13)

  Computation Chemistry Integral Evaluation Library

Pobieranie libint2-dev

Pobierz dla wszystkich dostępnych architektur

Architektura	Rozmiar pakietu	Rozmiar po instalacji	Pliki
amd64	20 459,9 KiB	98 284,0 KiB	[lista plików]
arm64	20 876,1 KiB	89 145,0 KiB	[lista plików]
armel	19 892,2 KiB	79 890,0 KiB	[lista plików]
armhf	18 783,9 KiB	64 312,0 KiB	[lista plików]
i386	20 013,3 KiB	88 439,0 KiB	[lista plików]
mips64el	21 071,8 KiB	101 395,0 KiB	[lista plików]
mipsel	18 330,1 KiB	67 241,0 KiB	[lista plików]
ppc64el	20 395,9 KiB	92 105,0 KiB	[lista plików]
s390x	20 248,4 KiB	91 900,0 KiB	[lista plików]