[energy] type: double precision doc: Calculated Selected FCI energy interface: ezfio [energy_pt2] type: double precision doc: Calculated FCI energy + PT2 interface: ezfio [iterative_save] type: integer doc: Save data at each iteration : 1(Append) | 2(Overwrite) | 3(NoSave) interface: ezfio,ocaml default: 3 [n_iter] interface: ezfio doc: number of iterations type:integer [n_det_iter] interface: ezfio doc: number of determinants at iteration type: integer size: (full_ci_zmq.n_iter) [energy_iter] interface: ezfio doc: The energy without a pt2 correction for n_det type: double precision size: (full_ci_zmq.n_iter) [pt2_iter] interface: ezfio doc: The pt2 correction for n_det type: double precision size: (full_ci_zmq.n_iter)