elkcode 2.2.5-1 source package in Ubuntu
Changelog
elkcode (2.2.5-1) unstable; urgency=low * New upstream release. -- Debichem Team <email address hidden> Sun, 20 Oct 2013 22:23:47 +0200
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- misc
- Urgency:
- Low Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| elkcode_2.2.5-1.dsc | 1.3 KiB | 2dec33f9f610cfdfe03b3b6c64cd1c22e28bfd4cfe59c3047612a2df083086a3 |
| elkcode_2.2.5.orig.tar.gz | 1.9 MiB | 19101d7111a41ab87fd703b6ba414a6db67c6a5d6d6992f8326eaa34129feb0a |
| elkcode_2.2.5-1.debian.tar.gz | 8.0 KiB | dc0642514220d9f0690659943ea8f2e6d503f9efcfa7b74319bd2b2996a70b14 |
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
* LSDA and GGA functionals available
* Isolated molecules or periodic systems
* Core states treated with the radial Dirac equation
.
Elk is parallelized via OpenMP.
