elkcode 5.4.24-2 source package in Ubuntu


elkcode (5.4.24-2) unstable; urgency=medium

  * debian/patches/testsuite_quick.patch: Use bash as interpreter, print
    testsuite output to stdout in addition to logfile and add 'set -o
  * debian/rules (override_dh_auto_test): Use bash to run testsuite.

 -- Michael Banck <email address hidden>  Thu, 10 Jan 2019 15:19:40 +0100

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Uploaded by:
Debichem Team on 2019-01-10
Uploaded to:
Original maintainer:
Debichem Team
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Eoan release on 2019-04-18 universe misc
Disco release on 2019-01-11 universe misc


File Size SHA-256 Checksum
elkcode_5.4.24-2.dsc 2.0 KiB aa6ea958078588e0e97313da54d97a945c9ff8212db852a11dbb56ce5b6770a8
elkcode_5.4.24.orig.tar.gz 3.8 MiB 907f92efe4bec021b22dc82afd9bd93702a42b9e7061fed1f233e1a8b9aa3754
elkcode_5.4.24-2.debian.tar.xz 8.6 KiB 83bc246bbc88b2900282e57ba74f0ad1ba67ab74acc0a97f194d177a6cc4a3bd

Available diffs

No changes file available.

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
  * 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
  * Forces - including incomplete basis set (IBS) and core corrections work
    with spin-orbit coupling, non-collinear magnetism and LDA+U
  * LSDA, GGA and (potential-only) meta-GGA functionals available
  * LDA+U: fully localised limit (FLL), around mean field (AFM) and
    interpolation between the two; works with SOC, NCM and spin-spirals
  * Isolated molecules or periodic systems
  * Core states treated with the radial Dirac equation
  * Spin-orbit coupling (SOC) included in second-variational scheme
  * Non-collinear magnetism (NCM) with arbitrary on-site magnetic fields
  * Fixed spin-moment calculations (with SOC and NCM)
  * Time-dependent density functional theory (TDDFT) for linear optical
    response calculations
  * First-order optical response
  * Non-linear optical (NLO) second harmonic generation
 Elk is parallelized via hybrid OpenMP/OpenMPI.

elk-lapw-dbgsym: debug symbols for elk-lapw