def test_vqe_uccsd(self):
""" Test VQE UCCSD case """
solver = VQEUCCSDFactory(
QuantumInstance(BasicAer.get_backend('statevector_simulator')))
calc = GroundStateEigensolver(self.transformation, solver)
res = calc.solve(self.driver)
self.assertAlmostEqual(res.energy, self.reference_energy, places=6)
def _setup_evaluation_operators(self):
# first we run a ground state calculation
solver = VQEUCCSDFactory(QuantumInstance(BasicAer.get_backend('statevector_simulator')))
calc = GroundStateEigensolver(self.transformation, solver)
res = calc.solve(self.driver)
# now we decide that we want to evaluate another operator
# for testing simplicity, we just use some pre-constructed auxiliary operators
_, aux_ops = self.transformation.transform(self.driver)
return calc, res, aux_ops
def setUp(self):
super().setUp()
try:
self.driver = PySCFDriver(atom='H .0 .0 .0; H .0 .0 0.735',
unit=UnitsType.ANGSTROM,
charge=0,
spin=0,
basis='sto3g')
except QiskitChemistryError:
self.skipTest('PYSCF driver does not appear to be installed')
self.reference_energy = -1.137306
self.transformation = \
FermionicTransformation(qubit_mapping=FermionicQubitMappingType.JORDAN_WIGNER)
self.seed = 50
self.quantum_instance = QuantumInstance(
BasicAer.get_backend('statevector_simulator'),
shots=1,
seed_simulator=self.seed,
seed_transpiler=self.seed)
self._vqe_uccsd_factory = VQEUCCSDFactory(self.quantum_instance)