Spglib / libsymspg

Edit Package spglib

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 (show unmerged sources)
Filename Size Changed
spglib-2.2.0.tar.gz 0002903111 2.77 MB
spglib.changes 0000007690 7.51 KB
spglib.spec 0000003230 3.15 KB
Latest Revision
andy great's avatar andy great (andythe_great) committed (revision 1)
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