#ifndef INC_XMIN_OPT_H #define INC_XMIN_OPT_H // options structure for xmin() struct xmin_opt { int mol_struct_opt; int maxiter; float grms_tol; int method; int numdiff; int m_lbfgs; int iter; // output float xmin_time; // output int ls_method; int ls_maxiter; float ls_maxatmov; float beta_armijo; float c_armijo; float mu_armijo; float ftol_wolfe; float gtol_wolfe; int ls_iter; // output int print_level; int error_flag; // output }; #endif