def test_hamiltonian_consistency(geom: str, basis: str, trafo: str):
parameters_qc = qc.ParametersQC(geometry=geom,
basis_set=basis,
outfile="asd")
hqc1 = qc.QuantumChemistryPsi4(parameters=parameters_qc).make_hamiltonian(
transformation=trafo)
hqc2 = qc.QuantumChemistryPySCF(parameters=parameters_qc).make_hamiltonian(
transformation=trafo)
assert (hqc1.qubit_operator == hqc2.qubit_operator)
def test_energies_psi4(method):
parameters_qc = qc.ParametersQC(geometry="data/h2.xyz", basis_set="6-31g")
psi4_interface = qc.QuantumChemistryPsi4(parameters=parameters_qc)
result = psi4_interface.compute_energy(method=method)
assert result is not None