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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
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janosh
closed
2 months ago
janosh
commented
2 months ago
closes #4051
JaGeo
commented
2 months ago
Thanks @janosh !
closes #4051