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[ 源代码: spglib  ]

软件包:python3-spglib(2.5.0-1)

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C library for crystal symmetry determination - Python3 bindings

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

This package contains the Python3 bindings.

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riscv64 50.5 kB172.0 kB [文件列表]