pyscfad.gto.mole_lite.MoleLite.from_pyscf

classmethod MoleLite.from_pyscf(mol, trace_coords=False, trace_basis=False)

Initialize from the pyscf Mole object.

Parameters:

• mol (MoleBase)

• trace_coords (bool)

• trace_basis (bool)

Return type:

MoleLite