https://github.com/spglib/moyo
Library for Crystal Symmetry in Rust
https://github.com/spglib/moyo
crystallography materials-science python rust symmetry
Last synced: about 2 months ago
JSON representation
Library for Crystal Symmetry in Rust
- Host: GitHub
- URL: https://github.com/spglib/moyo
- Owner: spglib
- License: apache-2.0
- Created: 2023-10-29T01:07:47.000Z (over 2 years ago)
- Default Branch: main
- Last Pushed: 2026-05-04T14:29:11.000Z (about 2 months ago)
- Last Synced: 2026-05-04T16:31:18.870Z (about 2 months ago)
- Topics: crystallography, materials-science, python, rust, symmetry
- Language: Rust
- Homepage: https://docs.rs/moyo/latest/moyo/
- Size: 15.3 MB
- Stars: 71
- Watchers: 3
- Forks: 3
- Open Issues: 16
-
Metadata Files:
- Readme: README.md
- Changelog: CHANGELOG.md
- License: LICENSE-APACHE
- Codeowners: .github/CODEOWNERS
Awesome Lists containing this project
README
# 
[](https://pypi.python.org/pypi/moyopy)
[](https://img.shields.io/crates/v/moyo)
[](https://pypi.python.org/pypi/moyopy)
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](https://crates.io/crates/moyo): [Docs](https://docs.rs/moyo/latest/moyo/)
- Python support available via [PyPI](https://pypi.org/project/moyopy/): [Docs](https://spglib.github.io/moyo/python/)
- JavaScript and WebAssembly support available via [npm](https://www.npmjs.com/package/@spglib/moyo-wasm)
## Interfaces
- [Rust](moyo/README.md): core implementation
- [Python](moyopy/README.md): Python binding
- [C](moyoc/README.md): C binding
- [JavaScript](moyo-wasm/README.md): JavaScript and WebAssembly binding
The functionality categories below mirror the sections of the [moyopy API
reference](https://spglib.github.io/moyo/python/api.html).
Legend: ✅ supported · 🟡 partial · ❌ not exposed · ➖ not applicable.
| Category | Functionality | Rust (`moyo`) | Python (`moyopy`) | C (`moyoc`) | JS/WASM (`moyo-wasm`) |
| -------------------- | -------------------- | ------------- | ----------------- | ----------- | --------------------- |
| Shared | Core types | ✅ | ✅ | 🟡 | 🟡 |
| Space group | Dataset from cell | ✅ | ✅ | ✅ | ✅ |
| Space group | Data access | ✅ | ✅ | ❌ | ❌ |
| Space group | Group identification | ✅ | ✅ | ❌ | ❌ |
| Layer group | Dataset from cell | ✅ | ✅ | ❌ | ❌ |
| Layer group | Data access | ✅ | ✅ | ❌ | ❌ |
| Layer group | Group identification | ✅ | ✅ | ❌ | ❌ |
| Magnetic space group | Dataset from cell | ✅ | ✅ | ❌ | ❌ |
| Magnetic space group | Data access | ✅ | ✅ | ❌ | ❌ |
| Magnetic space group | Group identification | ✅ | ✅ | ❌ | ❌ |
Notes:
- Core types are `Cell`, `Operations`, and `UnimodularTransformation`. C and
WASM expose only `Cell` and (implicitly) `Operations` via the dataset
output; `UnimodularTransformation` is not bound.
- "Dataset from cell" is the main symmetry-analysis entry point
(`MoyoDataset`, `MoyoLayerDataset`, `MoyoCollinearMagneticDataset`,
`MoyoNonCollinearMagneticDataset`).
- "Data access" covers classification tables and lookup helpers (e.g.
`Setting`, `Centering`, `HallSymbolEntry`, `SpaceGroupType`,
`ArithmeticCrystalClass`, `operations_from_number`, `LayerSetting`,
`LayerCentering`, `LayerHallSymbolEntry`, `LayerGroupType`,
`LayerArithmeticCrystalClass`, `operations_from_layer_number`,
`MagneticSpaceGroupType`, `magnetic_operations_from_uni_number`).
- "Group identification" recovers a group label from a primitive list of
symmetry operations (`PointGroup` + `SpaceGroup` + `integral_normalizer`,
`LayerGroup`, `MagneticSpaceGroup`).
## How to cite moyo and its interfaces
If you use moyo or its interfaces in your work, please cite the following figshare entry.
```
@misc{moyo,
author = {Kohei Shinohara},
title = {{moyo: A fast and robust crystal symmetry finder, written in Rust}},
year = {2026},
month = {1},
doi = {10.6084/m9.figshare.31081162.v1},
url = {https://figshare.com/articles/software/moyo_A_fast_and_robust_crystal_symmetry_finder_written_in_Rust_/31081162},
note = {Source code available at \url{https://github.com/spglib/moyo}}
}
```
This citation may be superseded by a peer-reviewed publication in the future.
## Dev
```shell
cargo install cargo-release cargo-edit cargo-deny cargo-semver-checks
```
### How to release
Prerequisites: `cargo install cargo-release cargo-edit cargo-deny cargo-semver-checks`
1. `cargo semver-checks` to lint a new release
1. `cargo set-version --bump patch` for patch version increment
1. Write [change log](./CHANGELOG.md) and create a pull request
1. After merging the pull request, run `cargo release --execute` (If you already release the package in crates.io, run `cargo release --execute --no-publish`)
- This automatically creates a git tag and pushes it to Remote, and triggers GitHub Actions to publish the packages.
### Debugging
```shell
RUST_LOG=debug cargo test -- --nocapture
```
## Acknowledgments
We thank Dr. Yusuke Seto for providing the crystallographic database.
We thank Juan Rodríguez-Carvajal for providing the magnetic space-group database.