Update DictSet to allow direct initialisation
#3031
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This is a quick fix to allow direct initialisation of the
DictSetclass, which was possible before but broke in #2972 due to theYb_2check queryingself.CONFIG, which is only defined ifDictSetwas being initialised from a subclass and not directly.This fixes this behaviour by checking the
config_dictwhich is a required input parameter so always defined (same asself.CONFIGif initialising from a subclass), and also updates this with theuser_potcar_settingsbefore checking, in case the user has explicitly specified to avoid theYb_2POTCAR.Demo in the attached notebook and PDF!
pymatgen_DictSet_fix.zip