Mdapy

Latest version: v0.11.5

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0.10.3

- 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.

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