[energy] type: double precision doc: Calculated Selected |FCI| energy interface: ezfio size: (determinants.n_states) [energy_pt2] type: double precision doc: Calculated |FCI| energy + |PT2| interface: ezfio size: (determinants.n_states) [cisd_guess] type: logical doc: If true, the CASSCF starts with a CISD wave function interface: ezfio,provider,ocaml default: True [state_following_casscf] type: logical doc: If |true|, the CASSCF will try to follow the guess CI vector and orbitals interface: ezfio,provider,ocaml default: False [diag_hess_cas] type: logical doc: If |true|, only the DIAGONAL part of the hessian is retained for the CASSCF interface: ezfio,provider,ocaml default: False [level_shift_casscf] type: Positive_float doc: Energy shift on the virtual MOs to improve SCF convergence interface: ezfio,provider,ocaml default: 0.005 [fast_2rdm] type: logical doc: If true, the two-rdm are computed with a fast algo interface: ezfio,provider,ocaml default: True