quemb.molbe.autofrag.AutogenArgs

class quemb.molbe.autofrag.AutogenArgs(iao_valence_only=False)

Additional arguments for autogen

Parameters:

iao_valence_only (bool) – If this option is set to True, all calculation will be performed in the valence basis in the IAO partitioning. This is an experimental feature.

Attributes

iao_valence_only: bool

Methods

__init__([iao_valence_only])

Method generated by attrs for class AutogenArgs.