Spglib / libsymspg
Spglib is a C library to find and handle crystal symmetries.
Features
    Find symmetry operations
    Identify space-group type
    Wyckoff position assignment
    Refine crystal structure
    Search irreducible k-points
    Find a primitive cell
Algorithms
    Space-group type finding algorithm: R. W. Grosse-Kunstleve, Acta Cryst., A55, 383-395 (1999)
    Crystal refinement algorithm: R. W. Grosse-Kunstleve and P. D. Adams, Acta Cryst., A58, 60-65 (2002)
There is also a python module called pyspglib.
http://spglib.sourceforge.net/
- Links to science / spglib
- Has a link diff
- Download package
- 
Checkout Package
osc -A https://api.opensuse.org checkout home:dirkmueller:Factory/spglib && cd $_
- Create Badge
Refresh
Source Files (show merged sources derived from linked package)
| Filename | Size | Changed | 
|---|---|---|
| _link | 0000000115 115 Bytes | |
| spglib-2.0.2.tar.gz | 0002880537 2.75 MB | |
| spglib.changes | 0000006528 6.38 KB | |
| spglib.spec | 0000002779 2.71 KB | 





Comments 0