moyo

A fast and robust crystal symmetry finder, written in Rust.

Several times faster symmetry detection than Spglib for Materials Project dataset

• Rust support available via crates.io
• Python support available via PyPI

Interfaces

• Rust: core implementation
• Python

Dev

How to release

1. cargo install cargo-release cargo-edit
2. cargo set-version --bump patch for patch version increment
3. Write change log and git-commit
4. cargo release --execute (If you already release the package in crates.io, run cargo release --execute --no-publish)

Debugging

RUST_LOG=debug cargo test -- --nocapture

Acknowledgments

We thank Dr. Yusuke Seto for providing the crystallographic database.