def test_qubits_2_py_h2(self):
"""qubits 2 py h2 test"""
num_particles = (1, 1)
converter = QubitConverter(ParityMapper(), two_qubit_reduction=True)
converter.force_match(num_particles=num_particles)
state = HartreeFock(4, num_particles, converter)
ref = QuantumCircuit(2)
ref.x(0)
self.assertEqual(state, ref)
def test_hf_bitstring_mapped(self):
"""Mapped bitstring test for water"""
# Original driver config when creating operator that resulted in symmetries coded
# below. The sector [1, -1] is the correct ground sector.
# PySCFDriver(
# atom="O 0.0000 0.0000 0.1173; H 0.0000 0.07572 -0.4692;H 0.0000 -0.07572 -0.4692",
# unit=UnitsType.ANGSTROM,
# charge=0,
# spin=0,
# basis='sto-3g',
# hf_method=HFMethodType.RHF)
num_spin_orbitals = 14
num_particles = (5, 5)
converter = QubitConverter(ParityMapper(), two_qubit_reduction=True)
z2symmetries = Z2Symmetries(
symmetries=[Pauli("IZZIIIIZZIII"),
Pauli("ZZIZIIZZIZII")],
sq_paulis=[Pauli("IIIIIIIIXIII"),
Pauli("IIIIIIIIIXII")],
sq_list=[3, 2],
tapering_values=[1, -1],
)
with self.subTest("Matched bitsring creation"):
converter.force_match(num_particles=num_particles,
z2symmetries=z2symmetries)
bitstr = hartree_fock_bitstring_mapped(
num_spin_orbitals=num_spin_orbitals,
num_particles=num_particles,
qubit_converter=converter,
)
ref_matched = [
True, False, True, True, False, True, False, True, False, False
]
self.assertListEqual(bitstr, ref_matched)
with self.subTest("Bitsring creation with no tapering"):
bitstr = hartree_fock_bitstring_mapped(
num_spin_orbitals=num_spin_orbitals,
num_particles=num_particles,
qubit_converter=converter,
match_convert=False,
)
ref_notaper = [
True,
False,
True,
False,
True,
True,
False,
True,
False,
True,
False,
False,
]
self.assertListEqual(bitstr, ref_notaper)
def test_qubits_6_py_lih(self):
"""qubits 6 py lih test"""
num_particles = (1, 1)
converter = QubitConverter(ParityMapper(), two_qubit_reduction=True)
z2symmetries = Z2Symmetries(
symmetries=[Pauli("ZIZIZIZI"),
Pauli("ZZIIZZII")],
sq_paulis=[Pauli("IIIIIIXI"), Pauli("IIIIIXII")],
sq_list=[2, 3],
tapering_values=[1, 1],
)
converter.force_match(num_particles=num_particles,
z2symmetries=z2symmetries)
state = HartreeFock(10, num_particles, converter)
ref = QuantumCircuit(6)
ref.x([0, 1])
self.assertEqual(state, ref)
def test_mapping_basic(self):
"""Test mapping to qubit operator"""
mapper = JordanWignerMapper()
qubit_conv = QubitConverter(mapper)
qubit_op = qubit_conv.convert(self.h2_op)
self.assertIsInstance(qubit_op, PauliSumOp)
# Note: The PauliSumOp equals, as used in the test below, use the equals of the
# SparsePauliOp which in turn uses np.allclose() to determine equality of
# coeffs. So the reference operator above will be matched on that basis so
# we don't need to worry about tiny precision changes for any reason.
self.assertEqual(qubit_op, TestQubitConverter.REF_H2_JW)
with self.subTest("Re-use test"):
qubit_op = qubit_conv.convert(self.h2_op)
self.assertEqual(qubit_op, TestQubitConverter.REF_H2_JW)
with self.subTest("convert_match()"):
qubit_op = qubit_conv.convert_match(self.h2_op)
self.assertEqual(qubit_op, TestQubitConverter.REF_H2_JW)
with self.subTest("Re-use with different mapper"):
qubit_conv.mapper = ParityMapper()
qubit_op = qubit_conv.convert(self.h2_op)
self.assertEqual(qubit_op, TestQubitConverter.REF_H2_PARITY)
with self.subTest(
"Set two qubit reduction - no effect without num particles"):
qubit_conv.two_qubit_reduction = True
qubit_op = qubit_conv.convert_match(self.h2_op)
self.assertEqual(qubit_op, TestQubitConverter.REF_H2_PARITY)
with self.subTest("Force match set num particles"):
qubit_conv.force_match(self.num_particles)
qubit_op = qubit_conv.convert_match(self.h2_op)
self.assertEqual(qubit_op,
TestQubitConverter.REF_H2_PARITY_2Q_REDUCED)