qc
Generate partial for molecules from a QC calculation.
Classes
A class which will compute the partial charges of a molecule from a quantum chemical calculation.
The settings to use when assigning partial charges from quantum chemical calculations.
dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
bool(x) -> bool