[Debichem-devel] Bug#674135: ITP: spglib -- Crystal Symmetry Library

Michael Banck mbanck at debian.org
Sun May 20 18:35:54 UTC 2012


Package: wnpp
Severity: wishlist
Owner: DebiChem Project <debichem-devel at lists.alioth.debian.org>


* Package name    : spglib
  Version         : 1.0.8
  Upstream Author : Atsushi Togo <atz.togo at gmail.com>
* URL             : http://spglib.sourceforge.net
* License         : BSDish
  Programming Lang: C
  Description     : Crystal Symmetry Library

Spglib is a library to find and handle crystal symmetries.
.
Features include:
.
 * Identify space-group type
 * Find symmetry operations
 * Find a primitive cell
 * Search irreducible k-points
 * Refine crystal structure
 * Wyckoff position assignment






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