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.
- Add docstrings for all functions and classes.
- Add tests using
pytestfor all functions and classes. - Add a Jupyter notebook showing examples of how to use
MDPropTools.
- Fix bug in identifying unique configurations in the
cluster_analysismodule.
- Modify diffusion and conductivity codes to avoid reading dump files all at once, resulting in improved memory efficiency and faster processing.
- Update setup.py to ensure accurate dependency requirements.
- Perform minor cleanups and bug fixes.