Paquet : libint1 (1.2.1-2)

[ Paquet source : libint  ]

Evaluate the integrals in modern atomic and molecular theory

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.

Étiquettes: Rôle: Bibliothèque partagée

Autres paquets associés à libint1

• dep: libc6 (>= 2.4)

  bibliothèque C GNU : bibliothèques partagées
  un paquet virtuel est également fourni par libc6-udeb

• dep: libgcc1 (>= 1:3.0)

  bibliothèque de prise en charge de GCC

• dep: libstdc++6 (>= 4.1.1)

  bibliothèque standard C++ de GNU v3

Télécharger libint1

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Architecture	Taille du paquet	Espace occupé une fois installé	Fichiers
amd64	2 727,5 ko	14 946,0 ko	[liste des fichiers]