- Fix bug when read/write POSCAR with reduced positions. - Fix bug when read data file with multi space. - Fix bug when read dump with reduced positions. - Add support for write data with type name list. - Support read/write simple [Crystallographic Information File cif](https://www.iucr.org/resources/cif/spec/version1.1/cifsyntax) format.
0.10.2
- Significantly optimize the performance of Neighbor class. - Add label for colorbar while visualizing in jupyter.
0.10.1
- Provide a GUI interface based on the polyscope. - Provide a GUI software for Windows platform. - Fix a bug when generating System from array with velocity. - Modify repr of System to print entire DataFrame. - Fix a bug in pair_distribution class. - Fix a bug when loading dump file. - Fix a bug in PTM module. - Update polars version to 0.20.0 - Updated README.
0.10.0
- Make mdapy support polars>=0.19.17 - Make mdapy support taichi>=1.7.0 - Fix a bug in void_distribution class - Fix a bug when system with small size - Change the display when system pos changed
0.9.9
- Rewrite the pltset and add a set_figure feature, which makes plotting easier. - We can use elemental list to calculate the atomic temperature now. - Fix a bug when loading xyz file. - Update support for Polars>=0.19.14. - Prepared to support Python 3.12. - Remove the SciencePlots and pyfnntw as optional dependency for concise.
0.9.8
- Update support for Polars>=0.19.13 - Support clustering with multi cutoff distance for different elemental pairs. - Add species clustering feature. - Let [k3d](https://matplotlib.org/) be an optional dependency. One can install it only if you need visualize the System in Jupyter environment.