Avoid dict mutation in VaspInputSet.structure setter#4520
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shyuep merged 1 commit intomaterialsproject:masterfrom Oct 16, 2025
janosh:avoid-VaspInputSet-_config_dict-potcar-mutation
Merged
Avoid dict mutation in VaspInputSet.structure setter#4520shyuep merged 1 commit intomaterialsproject:masterfrom janosh:avoid-VaspInputSet-_config_dict-potcar-mutation
shyuep merged 1 commit intomaterialsproject:masterfrom
janosh:avoid-VaspInputSet-_config_dict-potcar-mutation
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`_config_dict["POTCAR"]` was being modified in-place during Yb PSP warning check this caused `user_potcar_settings` to be permanently merged into `_config_dict["POTCAR"]`, might lead to incorrect POTCAR settings in subsequent operations
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_config_dict["POTCAR"]was being modified in-place duringYbPSP warning checkthis caused
user_potcar_settingsto be permanently merged into_config_dict["POTCAR"]. no known downstream repercussions but could in principle lead to incorrect POTCAR settings in subsequent operations