charges

charges(ne=False)

Returns the net charge (in units of elementary charge) for every species in the collection, in catalogue order. The charge is derived by counting trailing "+" and "-" tokens in the species name; "e-" is always −1. Pass ne=True to drop the electron species.

Parameters

ne : bool, optional

If True, excludes the electron species "e-" from the returned vector. Default False.

Returns

Vector[int]

Net charge in units of elementary charge for each species, in catalogue order.