Пакет abinit: Информация
Исходный пакет: abinit
Версия: 6.0.4-alt1.qa1
Собран: 17 апреля 2013 г. 10:16
Категория: Науки/Химия
Сообщить об ошибке в пакетеДомашняя страница: http://www.abinit.org/
Лицензия: GPL
О пакете: Computational Chemistry DFT program
Описание:
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
Список rpm-пакетов, предоставляемых данным srpm-пакетом:
abinit (x86_64, i586)
abinit-debuginfo (x86_64, i586)
abinit (x86_64, i586)
abinit-debuginfo (x86_64, i586)
Сопровождающий: Ilya Mashkin
Права:
@qa_p7
@qa_p7
Последнее изменение
17 апреля 2013 г. Dmitry V. Levin 6.0.4-alt1.qa1
- NMU: rebuilt for debuginfo.
1 июня 2010 г. Ilya Mashkin 6.0.4-alt1
- 6.0.4
11 августа 2009 г. Ilya Mashkin 5.8.4-alt1
- 5.8.4