Num_frozen_uocc not picked up by Python API

Doing the following in Python:

hf_energy =‘hf/sto-6g’, molecule=mol, return_wfn=False)
psi4.set_options({‘num_frozen_docc’ : ‘2’, ‘num_frozen_uocc’ : ‘4’, ‘active’ : ‘4’})
cc_energy =‘ccsd/sto-6g’, molecule=mol, return_wfn=False)
ci_energy =‘fci/sto-6g’, molecule=mol, return_wfn=False)

Both the CI and CC do pick up the freezing of the core doubly occupied orbitals, but not the virtuals. Maybe this is not the right approach?

Those parameters are not for CI/MCSCF. The DetCI module uses an extended set of orbital parameters that can be found in the docs here.

Figured it out:

psi4.set_options({‘frozen_docc’: [2], ‘frozen_uocc’ : [4]})

works. Key was not using variables but true arrays.