def test_freeze_core_orb_reduction(self):
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.PARITY,
two_qubit_reduction=False,
freeze_core=True,
orbital_reduction=[-3, -2])
input_object = core.run(self.qmolecule)
self._validate_vars(core, energy_shift=-7.7962196)
self._validate_info(core, num_particles=2, num_orbitals=6)
self._validate_input_object(input_object, num_qubits=6, num_paulis=118)
def test_output(self):
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=False,
freeze_core=False,
orbital_reduction=[])
input_object = core.run(self.qmolecule)
self._validate_vars(core)
self._validate_info(core)
self._validate_input_object(input_object)
def test_parity(self):
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.PARITY,
two_qubit_reduction=True,
freeze_core=False,
orbital_reduction=[])
input_object = core.run(self.qmolecule)
self._validate_vars(core)
self._validate_info(core, actual_two_qubit_reduction=True)
self._validate_input_object(input_object, num_qubits=10)
def test_particle_hole(self):
core = Hamiltonian(transformation=TransformationType.PH,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=False,
freeze_core=False,
orbital_reduction=[])
input_object = core.run(self.qmolecule)
self._validate_vars(core, ph_energy_shift=-1.83696799)
self._validate_info(core)
self._validate_input_object(input_object)
def test_bravyi_kitaev(self):
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.BRAVYI_KITAEV,
two_qubit_reduction=False,
freeze_core=False,
orbital_reduction=[])
input_object = core.run(self.qmolecule)
self._validate_vars(core)
self._validate_info(core)
self._validate_input_object(input_object)
def test_jordan_wigner_2q(self):
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=True,
freeze_core=False,
orbital_reduction=[])
input_object = core.run(self.qmolecule)
self._validate_vars(core)
# Reported effective 2 qubit reduction should be false
self._validate_info(core, actual_two_qubit_reduction=False)
self._validate_input_object(input_object)
def test_orbital_reduction(
self
): # Remove virtual orbital just for test purposes (not sensible!)
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=False,
freeze_core=False,
orbital_reduction=[-1])
input_object = core.run(self.qmolecule)
self._validate_vars(core)
self._validate_info(core, num_orbitals=2)
self._validate_input_object(input_object, num_qubits=2, num_paulis=4)
def setUp(self):
driver = HDF5Driver(
hdf5_input=self._get_resource_path('test_driver_hdf5.hdf5'))
self.qmolecule = driver.run()
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.PARITY,
two_qubit_reduction=True,
freeze_core=False,
orbital_reduction=[],
max_workers=4)
self.algo_input = core.run(self.qmolecule)
self.reference_energy = -1.857275027031588
def test_freeze_core_all_reduction_ph(self):
core = Hamiltonian(transformation=TransformationType.PH,
qubit_mapping=QubitMappingType.PARITY,
two_qubit_reduction=True,
freeze_core=True,
orbital_reduction=[-2, -1])
input_object = core.run(self.qmolecule)
self._validate_vars(core,
energy_shift=-7.7962196,
ph_energy_shift=-1.05785247)
self._validate_info(core,
num_particles=2,
num_orbitals=6,
actual_two_qubit_reduction=True)
self._validate_input_object(input_object, num_qubits=4, num_paulis=52)
def setUp(self):
hdf5_cfg = OrderedDict([
('hdf5_input', self._get_resource_path('test_driver_hdf5.hdf5'))
])
section = {'properties': hdf5_cfg}
driver = HDF5Driver()
self.qmolecule = driver.run(section)
core = Hamiltonian(transformation='full',
qubit_mapping='parity',
two_qubit_reduction=True,
freeze_core=False,
orbital_reduction=[],
max_workers=4)
self.algo_input = core.run(self.qmolecule)
self.reference_energy = -1.857275027031588