Paket: libint1 (1.2.1-2)
Links für libint1
Debian-Ressourcen:
Quellcode-Paket libint herunterladen:
Betreuer:
Externe Ressourcen:
- Homepage [sourceforge.net]
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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.
Andere Pakete mit Bezug zu libint1
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- dep: libc6 (>= 2.4)
- GNU-C-Bibliothek: Laufzeitbibliotheken
auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
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- dep: libgcc1 (>= 1:3.0)
- GCC Support-Bibliothek
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- dep: libstdc++6 (>= 4.1.1)
- GNU-Implementierung der Standard-C++-Bibliothek (Version 3)
libint1 herunterladen
Architektur | Paketgröße | Größe (installiert) | Dateien |
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i386 | 2.342,1 kB | 15.832,0 kB | [Liste der Dateien] |