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[ 源代码: spglib  ]

软件包:libsymspg-dev(1.16.0-1)

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下载源码包 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.

标签: 软件开发: 函数库, 角色: 开发用函数库

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mipsel 98.9 kB438.0 kB [文件列表]