Spglib / libsymspg
Spglib is a C library to find and handle crystal symmetries.
Features
Find symmetry operations
Identify space-group type
Wyckoff position assignment
Refine crystal structure
Search irreducible k-points
Find a primitive cell
Algorithms
Space-group type finding algorithm: R. W. Grosse-Kunstleve, Acta Cryst., A55, 383-395 (1999)
Crystal refinement algorithm: R. W. Grosse-Kunstleve and P. D. Adams, Acta Cryst., A58, 60-65 (2002)
There is also a python module called pyspglib.
http://spglib.sourceforge.net/
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osc -A https://api.opensuse.org checkout openSUSE:Backports:SLE-15-SP3/spglib && cd $_ - Create Badge
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Source Files
| Filename | Size | Changed |
|---|---|---|
| 0001-Fix-CMakeLists.txt.patch | 0000001791 1.75 KB | |
| spglib-1.14.1.tar.gz | 0001994323 1.9 MB | |
| spglib.changes | 0000004854 4.74 KB | |
| spglib.spec | 0000002793 2.73 KB |
Latest Revision
Wolfgang Engel (bigironman)
committed
(revision 1)
osc copypac from project:openSUSE:Leap:15.2 package:spglib revision:2, using expand
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