Ubuntu
elkcode package

elkcode 2.2.5-1build1 source package in Ubuntu

Changelog

elkcode (2.2.5-1build1) trusty; urgency=medium

  * No-change rebuild for libopenmpi1.3 -> libopenmpi1.6 transition.
 -- Logan Rosen <email address hidden>   Sun, 15 Dec 2013 01:15:54 -0500

Upload details

Uploaded by:
Logan Rosen
Uploaded to:
Trusty
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
elkcode_2.2.5.orig.tar.gz 1.9 MiB 19101d7111a41ab87fd703b6ba414a6db67c6a5d6d6992f8326eaa34129feb0a
elkcode_2.2.5-1build1.debian.tar.gz 8.0 KiB 473056ea0b045df9cb36b474083987a5e55d2bd5b29aecb6429939674c2f93a0
elkcode_2.2.5-1build1.dsc 1.6 KiB 643e7c1a26290d7a88e554007d7ac0da456da65ea4a2e5de71195c27cac0a747

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Binary packages built by this source

elk-lapw: All-Electron Density-Functional Electronic Structure Code

 Elk is an all-electron full-potential linearised augmented-plane wave
 (FP-LAPW) code. By not including pseudo-potentials, Elk can provide very
 reliable high-precision results and works for every chemical element. Features
 include:
 .
  * FP-LAPW basis with local-orbitals
  * APW radial derivative matching to arbitrary orders at muffin-tin surface
    (super-LAPW, etc.)
  * Arbitrary number of local-orbitals allowed (all core states can be made
    valence for example)
  * Total energies resolved into components
  * LSDA and GGA functionals available
  * Isolated molecules or periodic systems
  * Core states treated with the radial Dirac equation
 .
 Elk is parallelized via OpenMP.