materialsproject / pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
https://pymatgen.org
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Fix in-place `VaspInput.incar` updates having no effect if `incar` is dict (not `Incar` instance) #4052

Closed janosh closed 2 months ago

janosh commented 2 months ago

closes #4051

JaGeo commented 2 months ago

Thanks @janosh !