Pakiet: libint-dev (1.2.1-6)

[ Pakiet źródłowy: libint  ]

Evaluate the integrals in modern atomic and molecular theory (devel)

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 development header files.

Znaczniki: Rozwój oprogramowania: Biblioteki, Rola: Biblioteka deweloperska

Inne pakiety związane z libint-dev

• dep: libint1 (= 1.2.1-6)

  Evaluate the integrals in modern atomic and molecular theory

Pobieranie libint-dev

Pobierz dla wszystkich dostępnych architektur

Architektura	Rozmiar pakietu	Rozmiar po instalacji	Pliki
amd64	7 220,2 KiB	56 337,0 KiB	[lista plików]
arm64	8 037,2 KiB	45 013,0 KiB	[lista plików]
armel	9 597,7 KiB	57 564,0 KiB	[lista plików]
armhf	8 297,2 KiB	33 561,0 KiB	[lista plików]
i386	6 141,5 KiB	53 704,0 KiB	[lista plików]
mips64el	7 592,1 KiB	59 082,0 KiB	[lista plików]
mipsel	8 479,9 KiB	49 256,0 KiB	[lista plików]
ppc64el	7 657,9 KiB	50 284,0 KiB	[lista plików]
s390x	6 534,7 KiB	51 007,0 KiB	[lista plików]