- Add Polars as dependency package. Now we still use pandas, but mdapy maybe move to polars in the future. - Optimize the performance of reading and saving Dump and Data file. - Support loading/saving compressed Dump file (such as sample.dump.gz). - Support the lowest python version to 3.8.0. - Add pyproject.toml.
0.9.0
Support triclinic box now!!! Add Select feature. Rewrite the load and save module. Make many method suitable for small system. Fix some bugs.
0.8.9
Fix installation in python 3.11.5.
0.8.8
Fix memory leak in SpatialBinning class, not the correct issue. Fix bug in SteinhardtBondOrientation class. Fix bug in read data. Fix bug in spatial_binning. Updated the IdentifySFTBinFCC class to identify the twinning and extrinsic stacking fault.
0.8.7
1. Updated Taichi to 1.6.0, which decreases the import time ans supports Python 3.11. 2. Fix bug in read data. 3. Updated mdapy citation. We are pleased that our article for mdapy has been accepted by Computer Physics Communications.
0.8.6
1. Add repr for System class. 2. Add Replicate class. 3. Improve the performance of reading/writing DATA file with pyarrow. 4. Improve the performance of building Voronoi diagram with new version voro++.