struct gpr_lj_params_t

Oracle adapters: wrap analytical potentials as gpr_oracle_fn. Pass directly to gpr_neb_search() or gpr_minimize(). LJ oracle parameters. Pass pointer as user_data.

#include <gpr_optim_c.h>
 
struct gpr_lj_params_t {
    // fields
 
    int n_atoms;
    double epsilon;
    double sigma;
};