symmetr 0.11.0

Package for determining symmetry properties of crystals.

Python package for determining symmetry properties of crystals. See the documentation or the manuscript. The source code can be found at the GitHub repository.

The code internally uses findsym to determine the symmetry of a given crystal. Since findsym only works on Linux, most features of Symmetr will also only work on Linux. However, it is possible to run the code on any platform through Docker. The Windows Subsystem for Linux could likely be used for running the code, but this has not been tested.

When using the code in scientific publications please cite it as:

• J. Železný, Symmetr: a Python package for determining symmetry properties of crystals, arXiv:2602.21034

You should also cite the findsym package as that is included with the code. Use the following references:

• H. T. Stokes, D. M. Hatch, and B. J. Campbell, FINDSYM, ISOTROPY Software Suite, iso.byu.edu
• H. T. Stokes, D. M. Hatch, “Program for Identifying the Space Group Symmetry of a Crystal”, J. Appl. Cryst. 38, 237-238 (2005).

If you are using MAGNDATA you should also cite it:

• J. Appl. Cryst. (2016). 49, 1750-1776
• J. Appl. Cryst. (2016). 49, 1941-1956