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-2.0.2.tar.gz | 0002880537 2.75 MB | |
| spglib.changes | 0000006528 6.38 KB | |
| spglib.spec | 0000002779 2.71 KB |
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Yuchen Lin (maxlin_factory)
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Yuchen Lin (maxlin_factory)
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