Change gaussian & psi4 drivers hf_method init argument to enum
@@ -20,7 +20,7 @@ import logging
import sys
from shutil import which
from ..units_type import UnitsType
-from ..fermionic_driver import FermionicDriver
+from ..fermionic_driver import FermionicDriver, HFMethodType
from ...qiskit_chemistry_error import QiskitChemistryError
from ..molecule import Molecule
from ...qmolecule import QMolecule
@@ -45,7 +45,7 @@ class PSI4Driver(FermionicDriver):
'set {\n basis sto-3g\n scf_type pk\n reference rhf\n',
molecule: Optional[Molecule] = None,
basis: str = 'sto-3g',
- hf_method: str = 'rhf') -> None:
+ hf_method: HFMethodType = HFMethodType.RHF) -> None:
"""
Args:
config: A molecular configuration conforming to PSI4 format.
@@ -56,7 +56,7 @@ class PSI4Driver(FermionicDriver):
dependent configuration for the computation. This allows, for example, the Molecule
geometry to be updated to compute different points.
basis: Basis set
- hf_method: Hartree-Fock Method type; `rhf`, `rohf`, `uhf`
+ hf_method: Hartree-Fock Method type
Raises:
QiskitChemistryError: Invalid Input
@@ -70,7 +70,7 @@ class PSI4Driver(FermionicDriver):
super().__init__(molecule=molecule,
basis=basis,
- hf_method=hf_method,
+ hf_method=hf_method.value,
supports_molecule=True)
self._config = config
