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套件:libspglib-f08-dev(2.5.0-1)

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C library for crystal symmetry determination (Fortran development files)

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 development files for Fortran interface.

標籤: 軟體開發: 函式庫, 角色: 開發用函式庫

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