def test_ce_k4_filtered(self):
"""Test for k=4 eigenvalues with filter"""
# define filter criterion
# pylint: disable=unused-argument
def criterion(x, v, a_v):
return v >= -1
algo = NumPyEigensolver(k=4, filter_criterion=criterion)
result = algo.compute_eigenvalues(operator=self.qubit_op,
aux_operators=[])
self.assertEqual(len(result.eigenvalues), 2)
self.assertEqual(len(result.eigenstates), 2)
self.assertEqual(result.eigenvalues.dtype, np.float64)
np.testing.assert_array_almost_equal(result.eigenvalues,
[-0.88272215, -0.22491125])
def get_solver(self, problem: BaseProblem) -> Eigensolver:
"""Returns a NumPyEigensolver with the desired filter
Args:
problem: a class encoding a problem to be solved.
Returns:
A NumPyEigensolver suitable to compute the ground state of the molecule
transformed by ``transformation``.
"""
filter_criterion = self._filter_criterion
if not filter_criterion and self._use_default_filter_criterion:
filter_criterion = problem.get_default_filter_criterion()
npe = NumPyEigensolver(filter_criterion=filter_criterion, k=self.k)
return npe
def get_solver(self, transformation: Transformation) -> Eigensolver:
"""Returns a NumPyEigensolver with the desired filter
Args:
transformation: a fermionic/bosonic qubit operator transformation.
Returns:
A NumPyEigensolver suitable to compute the ground state of the molecule
transformed by ``transformation``.
"""
filter_criterion = self._filter_criterion
if not filter_criterion and self._use_default_filter_criterion:
filter_criterion = transformation.get_default_filter_criterion()
npe = NumPyEigensolver(filter_criterion=filter_criterion, k=self.k)
return npe
def setUp(self):
super().setUp()
algorithm_globals.random_seed = 8
try:
self.driver = PySCFDriver(atom='H .0 .0 .0; H .0 .0 0.75',
unit=UnitsType.ANGSTROM,
charge=0,
spin=0,
basis='sto3g')
except QiskitNatureError:
self.skipTest('PYSCF driver does not appear to be installed')
self.reference_energies = [-1.8427016, -1.8427016 + 0.5943372, -1.8427016 + 0.95788352,
-1.8427016 + 1.5969296]
self.transformation = \
FermionicTransformation(qubit_mapping=FermionicQubitMappingType.JORDAN_WIGNER)
solver = NumPyEigensolver()
self.ref = solver
self.quantum_instance = QuantumInstance(BasicAer.get_backend('statevector_simulator'),
seed_transpiler=90, seed_simulator=12)
def setUp(self):
super().setUp()
algorithm_globals.random_seed = 8
try:
self.driver = PySCFDriver(atom='H .0 .0 .0; H .0 .0 0.75',
unit=UnitsType.ANGSTROM,
charge=0,
spin=0,
basis='sto3g')
except QiskitNatureError:
self.skipTest('PYSCF driver does not appear to be installed')
self.reference_energies = [-1.8427016, -1.8427016 + 0.5943372, -1.8427016 + 0.95788352,
-1.8427016 + 1.5969296]
self.qubit_converter = QubitConverter(JordanWignerMapper())
self.electronic_structure_problem = ElectronicStructureProblem(self.driver)
solver = NumPyEigensolver()
self.ref = solver
self.quantum_instance = QuantumInstance(BasicAer.get_backend('statevector_simulator'),
seed_transpiler=90, seed_simulator=12)
def test_ce_k2_1q(self, op):
"""Test for 1 qubit operator"""
algo = NumPyEigensolver(k=2)
result = algo.compute_eigenvalues(operator=op)
np.testing.assert_array_almost_equal(result.eigenvalues, [-1, 1])
def test_ce_fail(self):
""" Test no operator """
algo = NumPyEigensolver()
with self.assertRaises(AlgorithmError):
_ = algo.run()
