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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/

Source Files

Filename Size Changed Actions
spglib-1.2.4.tar.gz 868 KB almost 6 years ago Download File
spglib.changes 1.1 KB almost 6 years ago Download File
spglib.spec 3.71 KB almost 6 years ago Download File

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