struct mod_optimizer { %immutable; int step; int funcs; float init_e; float current_e; float shiftavr; float shiftmax; }; struct mod_cg_optimizer { %immutable; struct mod_optimizer opt; float gsq; }; struct mod_md_optimizer { %immutable; struct mod_optimizer opt; float aver_e; float max_e; float min_e; float stdev_e; float smdavr; float kinetic_e; float kinetic_temp; int imdmax; int imdmin; %mutable; float temperature; }; struct mod_state_optimizer { %immutable; struct mod_optimizer opt; }; struct mod_qn_optimizer { %immutable; struct mod_optimizer opt; };