Пакет: libint2-dev (2.7.1-2)
Ссылки для libint2-dev
Ресурсы Trisquel:
Исходный код libint2:
Сопровождающий:
Original Maintainers:
- Debichem Team (Почтовый архив)
- Michael Banck
Внешние ресурсы:
- Сайт [github.com]
Подобные пакеты:
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.
Другие пакеты, относящиеся к libint2-dev
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- dep: libboost-dev
- Boost C++ Libraries development files (default version)
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- dep: libeigen3-dev
- lightweight C++ template library for linear algebra
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- dep: libint2-2 (= 2.7.1-2)
- Computation Chemistry Integral Evaluation Library
Загрузка libint2-dev
Архитектура | Размер пакета | В установленном виде | Файлы |
---|---|---|---|
amd64 | 20 666,2 Кб | 99110 Кб | [список файлов] |
arm64 | 21 522,4 Кб | 89545 Кб | [список файлов] |
armhf | 18 933,2 Кб | 64170 Кб | [список файлов] |
ppc64el | 21 257,9 Кб | 93493 Кб | [список файлов] |