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