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#symmetry #group #lattice #matrix #symbols #coordinates #operation

crystallographic-group

Provide crystallographic group reference and useful information, e.g. lattice coordinates and symmetry operation matrices.

by Tony

2 unstable releases

0.2.0 Jun 25, 2024
0.1.0 Apr 10, 2024

#1041 in Algorithms

Download history 18/week @ 2024-07-22 10/week @ 2024-07-29 5/week @ 2024-08-05 3/week @ 2024-08-12 14/week @ 2024-08-26 5/week @ 2024-09-16 23/week @ 2024-09-23 34/week @ 2024-09-30 35/week @ 2024-10-14 1/week @ 2024-10-28 25/week @ 2024-11-04

61 downloads per month
Used in 8 crates (2 directly)

MIT license

130KB
4.5K SLoC

crystallographic-group

Implemented using the Hall-symbol notations. Inspired by: sginfo and hall-symbol.

Reference

  1. Concise Space-Group Symbols http://cci.lbl.gov/sginfo/hall_symbols.html, See also sginfo: https://github.com/rwgk/sginfo

  2. Space-Group Notation with an Explicit Origin S.R. Hall; Space-Group Notation with an Explicit Origin ; Acta Cryst. (1981). A37, 517-525

  3. ITVB 2001 Table A1.4.2.7 Hall symbols http://cci.lbl.gov/sginfo/itvb_2001_table_a1427_hall_symbols.html

  4. hall-symbols (in Haskell): https://github.com/narumij/hall-symbols

Dependencies

~4.5MB
~88K SLoC