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Source: abinit
Section: science
Priority: optional
Maintainer: Yann Pouillon <yann.pouillon@gmail.com>
Build-Depends: debhelper (>= 7), autotools-dev, quilt (>= 0.46-4),
gfortran (>= 4:4.2), liblapack-dev (>= 3.0.20000531a-1.1),
libetsf-io-dev (>= 1.0.3), libnetcdf-dev (>= 4.1.1)
Standards-Version: 3.8.4
Homepage: https://www.abinit.org/
Package: abinit
Architecture: any
Depends: abinit-common (= ${binary:Version}), ${shlibs:Depends},
${misc:Depends}
Recommends: abinit-doc
Suggests: abinit-test
Description: Electronic structure calculations - Main binaries
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 all programs needed to perform calculations. For
documentation and tests, install the abinit-doc and abinit-test packages.
Package: abinit-common
Architecture: all
Depends: ${misc:Depends}
Description: Electronic structure calculations - Common 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 common data, such as pseudopotentials, necessary
to run the test suite and the tutorials.
Package: abinit-doc
Architecture: all
Section: doc
Depends: ${misc:Depends}
Description: 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 of abinit.
Package: abinit-test
Architecture: all
Section: devel
Depends: perl (>> 5.6), ${misc:Depends}
Description: Electronic structure calculations - Test suite
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 test suite of abinit.
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