When setting the basis set directly on Molecule objects from Python, it looks like most of the methods take at least a second argument. I'll just pick
set_basis_all_atoms as the example. I tracked this down to
driver/qcdb/libmintsmolecule.py, and it corresponds to
role. Some more poking around, and it looks like these are keys into maps for basis set types (orbital, jkfit, etc.).
Is there a definitive list of these somewhere?