compare_vibinfos

qcdb.compare_vibinfos(expected, computed, tol, label, verbose=1, forgive=None, required=None, toldict=None)[source]

Compare two dictionaries of vibration Datum objects. All items in expected must be present in computed and agree to tol (outright (<1) or decimal places (>=1)). At minimum, both must contain items in required (‘omega’ recc. for vibs). Failed items in forgive will not count against passing.