Pakiet: libint2-dev (2.7.2-1)

[ 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: libboost-dev

  Boost C++ Libraries development files (default version)

• dep: libeigen3-dev

  lightweight C++ template library for linear algebra

• dep: libint2-2 (= 2.7.2-1)

  Computation Chemistry Integral Evaluation Library

Pobieranie libint2-dev

Pobierz dla wszystkich dostępnych architektur

Architektura	Rozmiar pakietu	Rozmiar po instalacji	Pliki
amd64	20 465,8 KiB	98 595,0 KiB	[lista plików]
arm64	20 736,5 KiB	89 662,0 KiB	[lista plików]
armel	19 950,0 KiB	79 892,0 KiB	[lista plików]
armhf	18 706,4 KiB	64 048,0 KiB	[lista plików]
i386	20 043,8 KiB	88 817,0 KiB	[lista plików]
mips64el	20 929,9 KiB	100 892,0 KiB	[lista plików]
mipsel	18 770,9 KiB	67 909,0 KiB	[lista plików]
ppc64el	20 377,4 KiB	92 614,0 KiB	[lista plików]
s390x	20 158,0 KiB	92 679,0 KiB	[lista plików]