MolecularGroundStateResult
class MolecularGroundStateResult(a_dict=None)
Molecular Ground State Energy 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
computed_dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns computed electronic part of dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
computed_electronic_energy
Type: float
Returns computed electronic part of ground state energy
Return type
float
dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
dipole_moment_in_debye
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns dipole moment in Debye
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
electronic_dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns electronic dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
electronic_energy
Type: float
Returns electronic part of ground state energy
Return type
float
energy
Type: Optional[float]
Returns ground state energy if nuclear_repulsion_energy is available from driver
Return type
Optional[float]
formatted
Type: List[str]
Formatted result as a list of strings
Return type
List[str]
frozen_extracted_dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns frozen extracted part of dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
frozen_extracted_energy
Type: float
Returns frozen extracted part of ground state energy
Return type
float
hartree_fock_energy
Type: float
Returns Hartree-Fock energy
Return type
float
magnetization
Type: Optional[float]
Returns measured magnetization
Return type
Optional[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]
num_particles
Type: Optional[float]
Returns measured number of particles
Return type
Optional[float]
ph_extracted_dipole_moment
Type: Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
Returns particle hole extracted part of dipole moment
Return type
Optional[Tuple[Optional[float], Optional[float], Optional[float]]]
ph_extracted_energy
Type: float
Returns particle hole extracted part of ground state energy
Return type
float
reverse_dipole_sign
Type: bool
Returns if electronic dipole moment sign should be reversed when adding to nuclear
Return type
bool
spin
Type: Optional[float]
Returns computed spin
Return type
Optional[float]
total_angular_momentum
Type: Optional[float]
Returns total angular momentum (S^2)
Return type
Optional[float]
total_dipole_moment
Type: Optional[float]
Returns total dipole of moment
Return type
Optional[float]
total_dipole_moment_in_debye
Type: Optional[float]
Returns total dipole of moment in Debye
Return type
Optional[float]
Methods
__getitem__
MolecularGroundStateResult.__getitem__(key)
__len__
MolecularGroundStateResult.__len__()
clear
MolecularGroundStateResult.clear()
Return type
None
combine
MolecularGroundStateResult.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
MolecularGroundStateResult.copy()
fromkeys
classmethod MolecularGroundStateResult.fromkeys(iterable, value=None)
get
MolecularGroundStateResult.get(k[, d]) → D[k] if k in D, else d. d defaults to None.
has_dipole
MolecularGroundStateResult.has_dipole()
Returns whether dipole moment is present in result or not
Return type
bool
has_observables
MolecularGroundStateResult.has_observables()
Returns whether result has aux op observables such as spin, num particles
items
MolecularGroundStateResult.items() → a set-like object providing a view on D’s items
keys
MolecularGroundStateResult.keys() → a set-like object providing a view on D’s keys
pop
MolecularGroundStateResult.pop(key, default=None)
If key is not found, d is returned if given, otherwise KeyError is raised.
Return type
object
popitem
MolecularGroundStateResult.popitem()
as a 2-tuple; but raise KeyError if D is empty.
Return type
Tuple[object, object]
setdefault
MolecularGroundStateResult.setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
update
MolecularGroundStateResult.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
MolecularGroundStateResult.values() → an object providing a view on D’s values