Пакунок: abinit (8.0.8-4)

Links for abinit

Trisquel Resources:

Download Source Package abinit:

Maintainer:

Debichem Team (Mail Archive)

Original Maintainers:

Debichem Team (Mail Archive)
Andreas Tille
Michael Banck

External Resources:

Homepage [www.abinit.org]

Similar packages:

package for electronic structure calculations

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.

This package contains the executables needed to perform calculations (however, pseudopotentials are not supplied). For a set of pseudopotentials, install the abinit-data package.

Інші пакунки пов'язані з abinit

depends

recommends

suggests

dep: libblas3

Basic Linear Algebra Reference implementations, shared library

or libblas.so.3

virtual package provided by libatlas3-base, libblas3, libopenblas-base
dep: libc6 (>= 2.14) [amd64]

GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb

dep: libc6 (>= 2.4) [i386]
dep: libgcc1 (>= 1:4.0) [amd64]

GCC support library

dep: libgcc1 (>= 1:7) [i386]
dep: libgfortran4 (>= 7)

Runtime library for GNU Fortran applications
dep: liblapack3

Library of linear algebra routines 3 - shared version

or liblapack.so.3

virtual package provided by libatlas3-base, liblapack3, libopenblas-base

rec: abinit-data

package for electronic structure calculations (Data files)

sug: abinit-doc

package for electronic structure calculations (Documentation)

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