def test_larger_tutorial_qubit_op(self):
"""Test the 3-modal qubit operator generated in the vibrational structure tutorial."""
num_modes = self.driver_result.num_modes
num_modals = [3] * num_modes
vibration_energy = self.driver_result.get_property("VibrationalEnergy")
vibration_energy.basis = HarmonicBasis(num_modals)
vibration_op = vibration_energy.second_q_ops()[0]
mapper = DirectMapper()
qubit_op = mapper.map(vibration_op)
self.assertEqual(qubit_op, _num_modals_3_q_op)
def test_mapping(self):
"""Test mapping to qubit operator"""
num_modes = self.driver_result.num_modes
num_modals = [2] * num_modes
vibration_energy = self.driver_result.get_property("VibrationalEnergy")
vibration_energy.basis = HarmonicBasis(num_modals)
vibration_op = vibration_energy.second_q_ops()[0]
mapper = DirectMapper()
qubit_op = mapper.map(vibration_op)
self.assertEqual(qubit_op, _num_modals_2_q_op)
def test_mapping(self):
""" Test mapping to qubit operator """
driver = GaussianForcesDriver(logfile=self.get_resource_path(
'CO2_freq_B3LYP_ccpVDZ.log',
'problems/second_quantization/vibrational/resources'))
watson_hamiltonian = driver.run()
num_modals = 2
truncation = 3
vibration_op = _build_vibrational_op(watson_hamiltonian, num_modals,
truncation)
mapper = DirectMapper()
qubit_op = mapper.map(vibration_op)
self.assertEqual(qubit_op, REFERENCE)
def test_mapping(self):
"""Test mapping to qubit operator"""
with warnings.catch_warnings():
warnings.filterwarnings("ignore", category=DeprecationWarning)
driver = GaussianForcesDriver(logfile=self.get_resource_path(
"CO2_freq_B3LYP_ccpVDZ.log",
"problems/second_quantization/vibrational/resources",
))
driver_result = driver.run()
num_modes = driver_result.num_modes
num_modals = [2] * num_modes
vibration_energy = driver_result.get_property("VibrationalEnergy")
vibration_energy.basis = HarmonicBasis(num_modals)
vibration_op = vibration_energy.second_q_ops()[0]
mapper = DirectMapper()
qubit_op = mapper.map(vibration_op)
self.assertEqual(qubit_op, REFERENCE)