tequila.quantumchemistry.QuantumChemistryPsi4.from_openfermion¶
-
classmethod
QuantumChemistryPsi4.
from_openfermion
(molecule: openfermion.hamiltonians._molecular_data.MolecularData, transformation: Union[str, Callable] = None, *args, **kwargs)¶ Initialize direclty from openfermion MolecularData object
- Parameters
molecule – The openfermion molecule
- Returns
- Return type
The Tequila molecule