Replace POSCAR with CONTCAR in lobster.py#1389
Merged
esoteric-ephemera merged 1 commit intomaterialsproject:lawbstahfrom Feb 6, 2026
Merged
Replace POSCAR with CONTCAR in lobster.py#1389esoteric-ephemera merged 1 commit intomaterialsproject:lawbstahfrom
esoteric-ephemera merged 1 commit intomaterialsproject:lawbstahfrom
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Hi @esoteric-ephemera , I have made minor changes that were needed to also make the objects from taskdoc work as input to the cohp component in crystaltoolkit. See materialsproject/crystaltoolkit#459 Also, it needs some changes in API of Lobsterpy , cohp module will be deprecated in favor of general coxx module Some pymatgen PR also needs to be merged before we can release new version of Lobsterpy These 3 materialsproject/pymatgen#4482 |
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