elkcode 2.3.22-1build1 source package in Ubuntu
Changelog
elkcode (2.3.22-1build1) xenial; urgency=medium * No-change rebuild for openmpi transition. -- Matthias Klose <email address hidden> Mon, 01 Feb 2016 11:26:10 +0000
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Xenial
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
Series | Published | Component | Section |
---|
Downloads
File | Size | SHA-256 Checksum |
---|---|---|
elkcode_2.3.22.orig.tar.gz | 2.0 MiB | 869626fb78566c00ab00484a1cb29396fb40fcbada07b03c307efb52e4d06699 |
elkcode_2.3.22-1build1.debian.tar.xz | 7.9 KiB | ad5e9c5a66d2056710729ce367f9f2097ba3d9879df3f71b7481dd60cc910fb0 |
elkcode_2.3.22-1build1.dsc | 2.0 KiB | 47393b099ffe50f0673280d47cccbbe6b63c1a045787eaa219eecd0a6bb0f9e0 |
Available diffs
- diff from 2.3.22-1 (in Debian) to 2.3.22-1build1 (311 bytes)
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.
- elk-lapw-dbgsym: debug symbols for package elk-lapw
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.