moyopy is a Python binding for the moyo library, a fast and robust crystal symmetry finder written in Rust. It provides functionalities for crystallographic analysis, including space group determination and primitive cell finding. The library is actively maintained, with a current version of 0.7.9, and requires Python 3.10 or newer. New releases appear with an active cadence.
pip install moyopyVerified import paths — ran on the pinned version, not inferred.
This quickstart demonstrates how to define a simple crystal structure and use `moyopy.get_symmetry_dataset` to obtain its symmetry properties, including the space group number, international symbol, and Hall symbol. The structure is provided as a tuple `(lattice, positions, numbers)`.
Upgrade Python to 3.10 or a later supported version (e.g., `pyenv install 3.10.10`, `conda install python=3.10`).
Review your code for any assumptions about the standardization output. If specific standardization behavior is required, consult moyopy documentation for available flags or methods to control standardization.
If relying on `prim_std_cell.basis` or comparing results with `spglib`, implement explicit checks or re-ordering of lattice vectors. Consider applying constraints like a < b < c for cell parameters if needed for a specific standardization convention.