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
58 downloads per month
Used in moyopy
500KB
13K
SLoC
moyo (Rust)
The core implementation of moyo in Rust
- Crates.io: https://docs.rs/moyo/latest/moyo/
- Document: https://docs.rs/moyo/latest/moyo/
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