qiskit.chemistry.core.MolecularChemistryResult
class MolecularChemistryResult(a_dict=None)
Molecular chemistry Result
Energies are in Hartree and dipole moments in A.U unless otherwise stated.
__init__
__init__(a_dict=None)
Initialize self. See help(type(self)) for accurate signature.
Methods
__init__([a_dict]) | Initialize self. |
clear() | rtypeNone |
combine(result) | Any property from the argument that exists in the receiver is updated. |
copy() | |
fromkeys(iterable[, value]) | |
get(k[,d]) | |
items() | |
keys() | |
pop(key[, default]) | If key is not found, d is returned if given, otherwise KeyError is raised. |
popitem() | as a 2-tuple; but raise KeyError if D is empty. |
setdefault(k[,d]) | |
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 |
values() |
Attributes
algorithm_result | Returns raw algorithm result |
hartree_fock_energy | Returns Hartree-Fock energy |
nuclear_dipole_moment | Returns nuclear dipole moment X,Y,Z components in A.U when available from driver |
nuclear_repulsion_energy | Returns nuclear repulsion energy when available from driver |
algorithm_result
Returns raw algorithm result
Return type
AlgorithmResult
clear
clear()
Return type
None
combine
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
get
get(k[, d]) → D[k] if k in D, else d. d defaults to None.
hartree_fock_energy
Returns Hartree-Fock energy
Return type
float
items
items() → a set-like object providing a view on D’s items
keys
keys() → a set-like object providing a view on D’s keys
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]
pop
pop(key, default=None)
If key is not found, d is returned if given, otherwise KeyError is raised.
Return type
object
popitem
popitem()
as a 2-tuple; but raise KeyError if D is empty.
Return type
Tuple[object, object]
setdefault
setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D
update
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
values() → an object providing a view on D’s values