elements

elements(ne=False)

Returns an Elements catalogue for every species in the collection, in catalogue order. Each Elements instance lists the unique chemical elements present in the corresponding species and is used to build composition matrices. Pass ne=True to drop the electron species "e-".

Parameters

ne : bool, optional

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

Returns

Vector[Elements]

Elements catalogue for each species, in catalogue order.