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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Source Files
| Filename | Size | Changed |
|---|---|---|
| spglib-1.16.1.tar.gz | 0002001539 1.91 MB | |
| spglib.changes | 0000005230 5.11 KB | |
| spglib.spec | 0000002716 2.65 KB |
Latest Revision
Yuchen Lin (maxlin_factory)
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request 939403
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Yuchen Lin (maxlin_factory)
(revision 2)
Automatically create request by update submitter. This is trying to update package to openSUSE:Backports:SLE-15-SP4 from openSUSE:Factory. Please review this change and decline it if Leap do not need it.
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