Package: openmx (3.2.4.dfsg-3build1) [universe]
Links for openmx
Download Source Package openmx:
Original Maintainers (usually from Debian):
- Debian Scientific Computing Team (Mail Archive)
- Christophe Prud'homme
- Ondrej Certik
It should generally not be necessary for users to contact the original maintainer.
- Homepage [www.openmx-square.org]
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.
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