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Published March 23, 2023 | Version v2023.3.23
Software Open

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Authors/Creators

Description

  • Misc bug fixes.
  • Enable Structure relaxations with TrajectoryObserver (@janosh)

Notes

If you use pymatgen in your research, please consider citing the following: In addition, some of pymatgen's functionality is based on scientific advances / principles developed by the computational materials scientists in our team. Please refer to pymatgen's docs at http://pymatgen.org on how to cite them.

Files

materialsproject/pymatgen-v2023.3.23.zip

Files (318.1 MB)

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md5:10c0c648cc8970b0130d04954e447cc1
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Additional details

Related works

Is supplement to
https://github.com/materialsproject/pymatgen/tree/v2023.3.23 (URL)