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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osc -A https://api.opensuse.org checkout openSUSE:Slowroll:Base:1/spglib && cd $_
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Source Files
Filename | Size | Changed |
---|---|---|
spglib-1.16.3.tar.gz | 0002004468 1.91 MB | |
spglib.changes | 0000005577 5.45 KB | |
spglib.spec | 0000002746 2.68 KB |
Revision 4 (latest revision is 9)
Dominique Leuenberger (dimstar_suse)
accepted
request 941838
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Atri Bhattacharya (badshah400)
(revision 4)
Comments 0