Published June 4, 2013
| Version 2022.1.24
Software
Open
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Description
What's Changed
- Fix release workflow by @janosh in https://github.com/materialsproject/pymatgen/pull/2717
- Parsing the Fock matrix and eigenvalues from the QChem output file by @sudarshanv01 in https://github.com/materialsproject/pymatgen/pull/2562
- Add
copy()methods toComputedEntryandComputedStructureEntryby @janosh in https://github.com/materialsproject/pymatgen/pull/2719 - Fix tensor mapping by @utf in https://github.com/materialsproject/pymatgen/pull/2720
- Raise ValueError in SpacegroupAnalyzer.get_symmetrized_structure() if spglib returns no symmetries by @janosh in https://github.com/materialsproject/pymatgen/pull/2724
- Release v2022.11.7 by @janosh in https://github.com/materialsproject/pymatgen/pull/2726
- @sudarshanv01 made their first contribution in https://github.com/materialsproject/pymatgen/pull/2562
Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2022.11.1...v2022.11.7
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-v2022.11.7.zip
Files
(296.1 MB)
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md5:ea15913b9bdcccd40ead6a05b81398e5
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2022.11.7 (URL)