Published September 10, 2023
| Version v2023.9.10
Software
Open
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Description
What's Changed
🐛 Bug Fixes
- Fix code comment in ASE adapter by @Andrew-S-Rosen in https://github.com/materialsproject/pymatgen/pull/3298
- Fix IndexError when parsing Hessian from Gaussian frequency job by @janosh in https://github.com/materialsproject/pymatgen/pull/3308 ### 🛠 Enhancements
- Add an input arg check for
Kpoints.automatic_density_by_lengthsby @Andrew-S-Rosen in https://github.com/materialsproject/pymatgen/pull/3299 ### 🏥 Package Health - Remove pydantic < 2 from
setup.pyand bump monty inrequirements.txtby @Andrew-S-Rosen in https://github.com/materialsproject/pymatgen/pull/3303 - Move
py.typedto package root by @Andrew-S-Rosen in https://github.com/materialsproject/pymatgen/pull/3307 - Consistent casing
setup->setUpacross test classes by @janosh in https://github.com/materialsproject/pymatgen/pull/3305 ### 🤷♂️ Other Changes - v2023.9.10 by @janosh in https://github.com/materialsproject/pymatgen/pull/3309
Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2023.9.2...v2023.9.10
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-v2023.9.10.zip
Files
(302.3 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2023.9.10 (URL)