Paquet : libint2-2 (2.7.1-2)
Liens pour libint2-2
Ressources Trisquel :
Télécharger le paquet source libint2 :
Responsable :
Original Maintainers:
- Debichem Team (Archive du courrier électronique)
- Michael Banck
Ressources externes :
- Page d'accueil [github.com]
Paquets similaires :
Computation Chemistry Integral Evaluation Library
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.
Autres paquets associés à libint2-2
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- dep: libc6 (>= 2.17) [arm64, ppc64el]
- GNU C Library: Shared libraries
un paquet virtuel est également fourni par libc6-udeb
- dep: libc6 (>= 2.4) [amd64, armhf]
-
- dep: libgcc-s1 (>= 3.5) [armhf]
- GCC support library
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- dep: libstdc++6 (>= 4.1.1)
- GNU Standard C++ Library v3
Télécharger libint2-2
| Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
|---|---|---|---|
| amd64 | 4 409,8 ko | 34467 ko | [liste des fichiers] |
| arm64 | 5 122,3 ko | 25210 ko | [liste des fichiers] |
| armhf | 2 627,3 ko | 11972 ko | [liste des fichiers] |
| ppc64el | 4 924,7 ko | 26706 ko | [liste des fichiers] |