MolecularChemistryResult
class MolecularChemistryResult(a_dict=None)
Molecular chemistry Result
Energies are in Hartree and dipole moments in A.U unless otherwise stated.
Attributes
algorithm_result
Type: qiskit.aqua.algorithms.algorithm_result.AlgorithmResult
Returns raw algorithm result
Return type
AlgorithmResult
hartree_fock_energy
Type: float
Returns Hartree-Fock energy
Return type
float
nuclear_dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
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
Type: Optional[float]
Returns nuclear repulsion energy when available from driver
Return type
Optional[float]
Methods
__getitem__
MolecularChemistryResult.__getitem__(key)
__len__
MolecularChemistryResult.__len__()
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