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  • 6.0.4-alt1.qa1
  • 6.0.4-alt1.qa1
  • 6.0.4-alt1.qa1
  • 6.0.4-alt1.qa1
  • 6.0.4-alt1.qa1
Group :: Sciences/Chemistry
Source RPM: abinit
Current version: 6.0.4-alt1.qa1
Built: about 8 years ago
Size: 38.3 MB
Repocop status: warning
Home page:

License: GPL
Summary: Computational Chemistry DFT program

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.

Current maintainer: qa_p7

List of contributors: ACL: List of rpms provided by this srpm:
  • abinit
  • abinit-debuginfo
Recent changes (last three changelog entries):

2013-04-17 Dmitry V. Levin 6.0.4-alt1.qa1

    - NMU: rebuilt for debuginfo.

2010-06-01 Ilya Mashkin 6.0.4-alt1

    - 6.0.4

2009-08-11 Ilya Mashkin 5.8.4-alt1

    - 5.8.4
The Geyser project is based on code from Prometheus2.0, which had been made available under the MIT License.