13 releases

0.1.13 Aug 31, 2024
0.1.12 Jul 19, 2024
0.1.8 Apr 29, 2024
0.1.0 Oct 29, 2023

#248 in Science

Download history 126/week @ 2024-07-03 227/week @ 2024-07-10 154/week @ 2024-07-17 26/week @ 2024-07-24 1/week @ 2024-07-31 204/week @ 2024-08-28 3/week @ 2024-09-04 33/week @ 2024-09-11 34/week @ 2024-09-18 37/week @ 2024-09-25 5/week @ 2024-10-02 1/week @ 2024-10-09

58 downloads per month
Used in moyopy

MIT/Apache

500KB
13K SLoC

moyo (Rust)

CI moyo at crates.io

The core implementation of moyo in Rust

Module dependency

math <- base <- data <- identify <- standardize <- lib
        ^---- search <--------------|

Goals

  • Find symmetry operations of a given crystal structure, identify its crystallographic group, and symmetrize the given crystal structure
  • Well-defined tolerance for finding symmetry operations
  • No dependency on existing symmetry-finder packages
  • Simplify crystal symmetry algorithm by extensively exploiting the group structures of crystallographic groups

Non-goals

  • Crystallographic groups in other than three dimensions
  • Matching two similar crystal structures

Dependencies

~7–31MB
~485K SLoC