Source: openmx Section: science Priority: extra Maintainer: Debian Science Team Uploaders: Christophe Prud'homme Build-Depends: debhelper (>= 8), gfortran, libblas-dev, libfftw3-dev (>= 3.1.2-3~), liblapack-dev, mpi-default-dev Standards-Version: 3.9.4 Homepage: http://www.openmx-square.org/ Vcs-Svn: svn://anonscm.debian.org/debian-science/packages/openmx/trunk Vcs-Browser: http://anonscm.debian.org/viewvc/debian-science/packages/openmx/trunk/ Package: openmx Architecture: any Depends: ${misc:Depends}, ${shlibs:Depends} Recommends: openmx-data Description: package for nano-scale material simulations OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors. Package: openmx-data Architecture: all Depends: ${misc:Depends} Description: package for nano-scale material simulations (data) OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors. . This package contains the 2013 database of fully relativistic pseudopotentials (VPS) and pseudo-atomic orbitals (PAO), generated by ADPACK.