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[ 原始碼: spglib  ]

套件:ruby-getspg(1.16.1-1)

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下載原始碼套件 spglib

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C library for crystal symmetry determination - Ruby 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 Ruby bindings.

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