Source: abinit
Maintainer: Debichem Team
Uploaders: Andreas Tille ,
Michael Banck
Section: science
Priority: optional
Build-Depends: debhelper (>= 11),
gfortran,
liblapack-dev,
python,
graphviz,
markdown,
ghostscript,
help2man,
texlive-latex-extra,
texlive-fonts-recommended,
texlive-extra-utils,
texlive-pstricks,
texlive-publishers,
texlive-luatex
Standards-Version: 3.9.8
Vcs-Browser: https://salsa.debian.org/debichem-team/abinit
Vcs-Git: https://salsa.debian.org/debichem-team/abinit.git
Homepage: http://www.abinit.org/
Package: abinit
Architecture: any
Depends: ${shlibs:Depends},
${misc:Depends}
Recommends: abinit-data
Suggests: abinit-doc
Description: 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.
Package: abinit-doc
Architecture: all
Section: doc
Depends: ${shlibs:Depends},
${misc:Depends}
Description: package for electronic structure calculations (Documentation)
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 documentation and tutorials.
Package: abinit-data
Architecture: all
Depends: ${shlibs:Depends},
${misc:Depends}
Description: package for electronic structure calculations (Data files)
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 a set of pseudopotentials and example inputs.