New major release of partycls (2.0.0)

Last updated on Oct 24, 2022 1 min read
Project Homepage GitHub PyPI Publication

A new major release of partycls (v2.0.0) is now available on GitHub and PyPI. The new homepage also features new tutorials and a more consistent documentation, with a more detailed API presentation and cross-references between the different pages.

The most important changes include:

  • A variety of new structural descriptors and features (e.g. Voronoi tessellation).
  • A global optimization for most computations.
  • Several bug fixes.

See the changelog for more details on this new version.

Python Machine Learning Clustering Physics Molecular Dynamics