MolecularChemistryResult
class MolecularChemistryResult(a_dict=None)
Bases: qiskit.aqua.algorithms.algorithm_result.AlgorithmResult
Molecular chemistry Result
Energies are in Hartree and dipole moments in A.U unless otherwise stated.
Methods
clear
MolecularChemistryResult.clear()
Return type
None
combine
MolecularChemistryResult.combine(result)
Any property from the argument that exists in the receiver is updated. :type result: AlgorithmResult :param result: Argument result with properties to be set.
Raises
TypeError – Argument is None
Return type
None
copy
MolecularChemistryResult.copy()
fromkeys
classmethod MolecularChemistryResult.fromkeys(iterable, value=None)
get
MolecularChemistryResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None.
items
MolecularChemistryResult.items() → a set-like object providing a view on D’s items
keys
MolecularChemistryResult.keys() → a set-like object providing a view on D’s keys
pop
MolecularChemistryResult.pop(key, default=None)
If key is not found, d is returned if given, otherwise KeyError is raised.
Return type
object
popitem
MolecularChemistryResult.popitem()
as a 2-tuple; but raise KeyError if D is empty.
Return type
Tuple[object, object]
setdefault
MolecularChemistryResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
update
MolecularChemistryResult.update(*args, **kwargs)
If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v
Return type
None
values
MolecularChemistryResult.values() → an object providing a view on D’s values
Attributes
algorithm_result
Returns raw algorithm result
Return type
AlgorithmResult
hartree_fock_energy
Returns Hartree-Fock energy
Return type
float
nuclear_dipole_moment
Returns nuclear dipole moment X,Y,Z components in A.U when available from driver
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
nuclear_repulsion_energy
Returns nuclear repulsion energy when available from driver
Return type
Optional[float]