Ubuntu
openmx package

openmx 3.7.6-1build2 source package in Ubuntu

Changelog

openmx (3.7.6-1build2) xenial; urgency=medium

  * No-change rebuild for openmpi transition.

 -- Matthias Klose <email address hidden>  Mon, 01 Feb 2016 11:37:05 +0000

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Uploaded by:
Matthias Klose
Uploaded to:
Xenial
Original maintainer:
Debian Science Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

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File Size SHA-256 Checksum
openmx_3.7.6.orig.tar.gz 109.1 MiB 4c4ac03797a49298c7b2085c1c629cb2e65b7b6500970e7ee3b6b3ed7dc6653c
openmx_3.7.6-1build2.debian.tar.xz 7.1 KiB c2d59bfb59a7cfe626838a1cd53f8a589d6688860e1d61a094ac9892be34770a
openmx_3.7.6-1build2.dsc 2.0 KiB 3129ef26c26cb74727b411dafa59771a567b2884396b564dc7b1a519f46000f5

Available diffs

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Binary packages built by this source

openmx: 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.

openmx-data: 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.

openmx-dbgsym: debug symbols for package openmx

 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.