[optimization_method] type: character*(32) doc: Define the kind of hessian for the orbital optimization full : full hessian, diag : diagonal hessian, none : no hessian interface: ezfio,provider,ocaml default: diag [n_det_max_opt] type: integer doc: Maximal number of the determinants in the wf for the orbital optimization (to stop the optimization if n_det > n_det_max_opt) interface: ezfio,provider,ocaml default: 200000 [optimization_max_nb_iter] type: integer doc: Maximal number of iterations for the orbital optimization interface: ezfio,provider,ocaml default: 10 [thresh_opt_max_elem_grad] type: double precision doc: Threshold for the convergence, the optimization exits when the biggest element in the gradient is smaller than thresh_optimization_max_elem_grad interface: ezfio,provider,ocaml default: 1.e-5