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Spglib / libsymspg

Edit Package spglib

Spglib is a C library to find and handle crystal symmetries.

Find symmetry operations
Identify space-group type
Wyckoff position assignment
Refine crystal structure
Search irreducible k-points
Find a primitive cell

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.

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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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