Ubuntu
elkcode package

elkcode 7.2.42-2 source package in Ubuntu

Changelog

elkcode (7.2.42-2) unstable; urgency=medium

  * Upload to unstable (Closes: #1003005).
  * debian/control (Build-Depends): Replaced debhelper with debhelper-compat (=
    12).
  * debian/compat: Removed.
  * debian/rules (override_dh_auto_build): Disable parallelism during build.
  * debian/control (Build-Depends): Added libwannier90-dev.
  * debian/patches/makeflags.patch: Link to libwannier90.

 -- Michael Banck <email address hidden>  Sun, 02 Jan 2022 20:43:14 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Jammy release universe misc

Downloads

File Size SHA-256 Checksum
elkcode_7.2.42-2.dsc 2.0 KiB 2150d5cb2a2937c658e3eaf17c88ebb0a87bd5779b903fd3e81dbcf48801b923
elkcode_7.2.42.orig.tar.gz 3.9 MiB 73f03776dbf9b2147bfcc5b7c062af5befa0944608f6fc4b6a1e590615400fc6
elkcode_7.2.42-2.debian.tar.xz 9.6 KiB 4a41ff7591d4704872543b91a3fc7da04ed83c93a12eb83694fb17239114f975

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
 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
  * 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