Output a MolecularData object generated from an InteractionOperator
interaction_operator, geometry=None, basis=None, multiplicity=None,
n_electrons=None, reduce_spin=True, data_directory=None
interaction_operator(InteractionOperator): two-body interaction
operator defining the "molecular interaction" to be simulated.
geometry(string or list of atoms):
basis(string): String denoting the basis set used to discretize the
multiplicity(int): Spin multiplicity desired in the system.
n_electrons(int): Number of electrons in the system
reduce_spin(bool): True if one wishes to perform spin reduction on
integrals that are given in interaction operator. Assumes
spatial (x) spin structure generically.
Instance that captures the
interaction_operator converted into the format that would come
from an electronic structure package adorned with some meta-data
that may be useful.