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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.0.6] - 2025-03-27

Fixed

  • Fix circular imports bug.
  • Update scipy dependency version.

[0.0.5] - 2025-02-05

Added

  • Add docstrings for functions and classes.
  • Add tests using pytest for functions and classes.
  • Add a Jupyter notebook showing examples of how to use MDPropTools.

Fixed

  • Fix bug in identifying unique configurations in the cluster_analysis module.

[0.0.4] - 2023-07-08

Changed

  • Modify diffusion and conductivity codes to avoid reading dump files all at once, resulting in improved memory efficiency and faster processing.

Fixed

  • Update setup.py to ensure accurate dependency requirements.
  • Perform minor cleanups and bug fixes.

[0.0.3] - 2022-01-14