def test_transform(self):
code = BinaryCode([[1, 0, 0], [0, 1, 0]], ['W0', 'W1', '1 + W0 + W1'])
hamiltonian = FermionOperator('0^ 2', 0.5) + FermionOperator('2^ 0',
0.5)
transform = binary_code_transform(hamiltonian, code)
correct_op = QubitOperator('X0 Z1',0.25) + QubitOperator('X0',0.25)
self.assertTrue(transform.isclose(correct_op))
with self.assertRaises(TypeError):
binary_code_transform('0^ 2', code)
with self.assertRaises(TypeError):
binary_code_transform(hamiltonian,
([[1, 0], [0, 1]], ['w0', 'w1']))
def test_transform(self):
code = BinaryCode([[1, 0, 0], [0, 1, 0]], ['W0', 'W1', '1 + W0 + W1'])
hamiltonian = FermionOperator('0^ 2', 0.5) + FermionOperator(
'2^ 0', 0.5)
transform = binary_code_transform(hamiltonian, code)
self.assertDictEqual(transform.terms, {
((0, 'X'), (1, 'Z')): 0.25,
((0, 'X'), ): 0.25
})
with self.assertRaises(TypeError):
binary_code_transform('0^ 2', code)
with self.assertRaises(TypeError):
binary_code_transform(hamiltonian,
([[1, 0], [0, 1]], ['w0', 'w1']))
def test_jordan_wigner(self):
hamiltonian, gs_energy = lih_hamiltonian()
code = jordan_wigner_code(4)
qubit_hamiltonian = binary_code_transform(hamiltonian, code)
self.assertAlmostEqual(gs_energy, eigenspectrum(qubit_hamiltonian)[0])
self.assertDictEqual(qubit_hamiltonian.terms,
jordan_wigner(hamiltonian).terms)
def test_weight_one_binary_addressing_code(self):
hamiltonian, gs_energy = lih_hamiltonian()
code = interleaved_code(8) * (
2 * weight_one_binary_addressing_code(2))
qubit_hamiltonian = binary_code_transform(hamiltonian, code)
self.assertAlmostEqual(gs_energy,
eigenspectrum(qubit_hamiltonian)[0])
def test_bravyi_kitaev(self):
hamiltonian, gs_energy = lih_hamiltonian()
code = bravyi_kitaev_code(4)
qubit_hamiltonian = binary_code_transform(hamiltonian, code)
self.assertAlmostEqual(gs_energy, eigenspectrum(qubit_hamiltonian)[0])
qubit_spectrum = eigenspectrum(qubit_hamiltonian)
fenwick_spectrum = eigenspectrum(bravyi_kitaev(hamiltonian))
for eigen_idx, eigenvalue in enumerate(qubit_spectrum):
self.assertAlmostEqual(eigenvalue, fenwick_spectrum[eigen_idx])
def test_tranform_function(self):
ferm_op = FermionOperator('2')
n_modes = 5
qubit_op = binary_code_transform(ferm_op, parity_code(n_modes))
correct_op = QubitOperator(((1, 'Z'), (2, 'X'), (3, 'X'), (4, 'X')),
0.5) + \
QubitOperator(((2, 'Y'), (3, 'X'), (4, 'X')), 0.5j)
self.assertTrue(qubit_op == correct_op)
ferm_op = FermionOperator('2^')
n_modes = 5
qubit_op = binary_code_transform(ferm_op, parity_code(n_modes))
correct_op = QubitOperator(((1, 'Z'), (2, 'X'), (3, 'X'), (4, 'X')),
0.5) \
+ QubitOperator(((2, 'Y'), (3, 'X'), (4, 'X')), -0.5j)
self.assertTrue(qubit_op == correct_op)
ferm_op = FermionOperator('5^')
op2 = QubitOperator('Z0 Z1 Z2 Z3 Z4 X5', 0.5) \
- QubitOperator('Z0 Z1 Z2 Z3 Z4 Y5', 0.5j)
op1 = binary_code_transform(ferm_op, jordan_wigner_code(6))
self.assertTrue(op1 == op2)
def test_dissolve(self):
code = BinaryCode([[1, 0, 0], [0, 1, 0]], ['W0', 'W1', '1 + W0 W1'])
hamiltonian = FermionOperator('0^ 2', 0.5) + FermionOperator(
'2^ 0', 0.5)
transform = binary_code_transform(hamiltonian, code)
self.assertDictEqual(
transform.terms, {
((0, 'X'), (1, 'Z')): 0.375,
((0, 'X'), ): -0.125,
((0, 'Y'), ): 0.125j,
((0, 'Y'), (1, 'Z')): 0.125j
})
with self.assertRaises(ValueError):
dissolve(((1, '1'), ))
def test_dissolve(self):
code = BinaryCode([[1, 0, 0], [0, 1, 0]], ['W0', 'W1', '1 + W0 W1'])
hamiltonian = FermionOperator('0^ 2', 0.5) + FermionOperator('2^ 0',
0.5)
transform = binary_code_transform(hamiltonian, code)
correct_op = QubitOperator('X0 Z1', 0.375) + \
QubitOperator('X0', -0.125) + \
QubitOperator('Y0', -0.125j) + \
QubitOperator('Y0 Z1', -0.125j)
self.assertTrue(transform.isclose(correct_op))
with self.assertRaises(ValueError):
dissolve(((1, '1'),))
def load_and_transform(filename, orbitals, transform):
# Load data
print('--- loading molecule ---')
molecule = MolecularData(filename=filename)
print('filename: {}'.format(molecule.filename))
#print('n_atoms: {}'.format(molecule.n_atoms))
#print('n_electrons: {}'.format(molecule.n_electrons))
#print('n_orbitals: {}'.format(molecule.n_orbitals))
#print('Canonical Orbitals: {}'.format(molecule.canonical_orbitals))
#print('n_qubits: {}'.format(molecule.n_qubits))
# get the Hamiltonian for a specific choice of active space
# set the Hamiltonian parameters
occupied_orbitals, active_orbitals = orbitals
molecular_hamiltonian = molecule.get_molecular_hamiltonian(
occupied_indices=range(occupied_orbitals),
active_indices=range(active_orbitals))
# map the operator to fermions and then qubits
fermion_hamiltonian = get_fermion_operator(molecular_hamiltonian)
# get interaction operator
interaction_hamiltonian = get_interaction_operator(fermion_hamiltonian)
if transform is 'JW':
qubit_h = jordan_wigner(fermion_hamiltonian)
qubit_h.compress()
elif transform is 'BK':
qubit_h = bravyi_kitaev(fermion_hamiltonian)
qubit_h.compress()
elif transform is 'BKSF':
qubit_h = bravyi_kitaev_fast(interaction_hamiltonian)
qubit_h.compress()
elif transform is 'BKT':
qubit_h = bravyi_kitaev_tree(fermion_hamiltonian)
qubit_h.compress()
elif transform is 'PC':
qubit_h = binary_code_transform(fermion_hamiltonian,
parity_code(2 * active_orbitals))
qubit_h.compress()
else:
print('ERROR: Unrecognized qubit transformation: {}'.format(transform))
sys.exit(2)
return qubit_h
def test_parity_code(self):
hamiltonian, gs_energy = lih_hamiltonian()
code = parity_code(4)
qubit_hamiltonian = binary_code_transform(hamiltonian, code)
self.assertAlmostEqual(gs_energy, eigenspectrum(qubit_hamiltonian)[0])
def test_weight_two_segment_code(self):
hamiltonian, gs_energy = lih_hamiltonian()
code = weight_two_segment_code()
qubit_hamiltonian = binary_code_transform(hamiltonian, code)
self.assertAlmostEqual(gs_energy, eigenspectrum(qubit_hamiltonian)[0])
def parity_transform(FermionOperator):
return binary_code_transform(FermionOperator,
parity_code(n_spinorbital))
