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/
- Developed at science
- Sources inherited from project openSUSE:Factory
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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 |
Revision 2 (latest revision is 9)
Dominique Leuenberger (dimstar_suse)
accepted
request 780558
from
Atri Bhattacharya (badshah400)
(revision 2)
- Fix "env-script-interpreter" rpmlint warning - Clean spec file.
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