def test_sz_operator(self):
op = sz_operator(2)
expected = (FermionOperator(((0, 1), (0, 0)), 0.5) -
FermionOperator(((1, 1), (1, 0)), 0.5) +
FermionOperator(((2, 1), (2, 0)), 0.5) -
FermionOperator(((3, 1), (3, 0)), 0.5))
self.assertTrue(op.isclose(expected))
def test_uccsd_singlet_symmetries(self):
"""Test that the singlet generator has the correct symmetries."""
test_orbitals = 8
test_electrons = 4
packed_amplitude_size = uccsd_singlet_paramsize(
test_orbitals, test_electrons)
packed_amplitudes = randn(int(packed_amplitude_size))
generator = uccsd_singlet_generator(packed_amplitudes, test_orbitals,
test_electrons)
# Construct symmetry operators
sz = sz_operator(test_orbitals)
s_squared = s_squared_operator(test_orbitals)
# Check the symmetries
comm_sz = normal_ordered(commutator(generator, sz))
comm_s_squared = normal_ordered(commutator(generator, s_squared))
zero = FermionOperator()
self.assertEqual(comm_sz, zero)
self.assertEqual(comm_s_squared, zero)
def test_sz_operator_invalid_input(self):
with self.assertRaises(TypeError):
sz_operator('A')