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.