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@naik-aakash and @kaueltzen for info: i have tested the pymatgen branch https://github.com/materialsproject/pymatgen/pull/4746/changes here. I believe everything still stays the same and I did not see any major problems if this gets merged. But I would be happy if someone else could take a look. There also seems to be a mutability bug in pymatgen-core that the PR discovered. |
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Test of current pymatgen bug fixes.