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[ 原始碼: spglib  ]

套件:libsymspg-dev(1.16.0-1)

libsymspg-dev 的相關連結

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下載原始碼套件 spglib

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C library for crystal symmetry determination (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 static library and header files.

標籤: 軟體開發: 函式庫, 角色: 開發用函式庫

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