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软件包:libsymspg2(2.5.0-1) [debports]
C library for crystal symmetry determination
Spglib is a C library for crystal symmetry determination. Symmetry operations, space groups and other data can be obtained using this symmetry finder.
Features include:
* Identify space-group type * Find symmetry operations * Find a primitive cell * Search irreducible k-points * Refine crystal structure * Wyckoff position assignment