def test_orbnum_reduce_symmetry_qubits(self):
# Generate the fermionic Hamiltonians,
# number of orbitals and number of electrons.
lih_sto_hamil, lih_sto_numorb, lih_sto_numel = LiH_sto3g()
# Use test function to reduce the qubits.
lih_sto_qbt = (symmetry_conserving_bravyi_kitaev(
lih_sto_hamil, lih_sto_numorb, lih_sto_numel))
self.assertEqual(number_of_qubits(lih_sto_qbt, lih_sto_numorb),
lih_sto_numorb - 2)
def test_single_operator(self):
# Dummy operator acting only on 2 qubits of overall 4-qubit system
op = FermionOperator("0^ 1^ 1 0") + FermionOperator("1^ 0^ 0 1")
trafo_op = symmetry_conserving_bravyi_kitaev(op,
active_fermions=2,
active_orbitals=4)
# Check via eigenspectrum -- needs to stay the same
e_op = eigenspectrum(op)
e_trafo = eigenspectrum(trafo_op)
# Check eigenvalues
self.assertSequenceEqual(e_op.tolist(), e_trafo.tolist())
def test_energy_reduce_symmetry_qubits(self):
# Generate the fermionic Hamiltonians,
# number of orbitals and number of electrons.
lih_sto_hamil, lih_sto_numorb, lih_sto_numel = LiH_sto3g()
# Use test function to reduce the qubits.
lih_sto_qbt = (symmetry_conserving_bravyi_kitaev(
lih_sto_hamil, lih_sto_numorb, lih_sto_numel))
self.assertAlmostEqual(
eigenspectrum(lih_sto_qbt)[0],
eigenspectrum(lih_sto_hamil)[0])
def test_hubbard_reduce_symmetry_qubits(self):
for i in range(4):
n_sites = i + 2
n_ferm = n_sites
hub_hamil, n_orb = set_1D_hubbard(n_sites)
# Use test function to reduce the qubits.
hub_qbt = (symmetry_conserving_bravyi_kitaev(
hub_hamil, n_orb, n_ferm))
sparse_op = get_sparse_operator(hub_hamil)
ground_energy, _ = jw_get_ground_state_at_particle_number(
sparse_op, n_ferm)
self.assertAlmostEqual(eigenspectrum(hub_qbt)[0], ground_energy)
def test_errors_reduce_symmetry_qubits(self):
# Generate the fermionic Hamiltonians,
# number of orbitals and number of electrons.
lih_sto_hamil, lih_sto_numorb, lih_sto_numel = LiH_sto3g()
with self.assertRaises(ValueError):
symmetry_conserving_bravyi_kitaev(0, lih_sto_numorb, lih_sto_numel)
with self.assertRaises(ValueError):
symmetry_conserving_bravyi_kitaev(lih_sto_hamil, 1.5, lih_sto_numel)
with self.assertRaises(ValueError):
symmetry_conserving_bravyi_kitaev(lih_sto_hamil, lih_sto_numorb,
3.6)
