#include "../moldyn.h"
#include "../math/math.h"
-//#include "tersoff.h"
+#include "tersoff.h"
/* create mixed terms from parameters and set them */
int tersoff_mult_complete_params(t_tersoff_mult_params *p) {
t_tersoff_exchange *exchange;
brand=ai->brand;
- params=moldyn->pot1b_params;
+ params=moldyn->pot_params;
exchange=&(params->exchange);
/*
double s_r;
double arg;
- params=moldyn->pot2b_params;
+ params=moldyn->pot_params;
brand=aj->brand;
exchange=&(params->exchange);
double chi,ni,betaini,nj,betajnj;
double zeta;
- params=moldyn->pot2b_params;
+ params=moldyn->pot_params;
exchange=&(params->exchange);
/* we do not run if f_c_ij was detected to be 0! */
double tmp;
int brand;
- params=moldyn->pot3b_params;
+ params=moldyn->pot_params;
exchange=&(params->exchange);
if(!(exchange->run3bp))