/* choose potential */
#ifdef ALBE
- set_potential(&md,MOLDYN_POTENTIAL_AM);
+ if(set_potential(&md,MOLDYN_POTENTIAL_AM)<0)
+ return -1;
#else
- set_potential(&md,MOLDYN_POTENTIAL_TM);
+ if(set_potential(&md,MOLDYN_POTENTIAL_TM)<0)
+ return -1;
#endif
/* cutoff radius & bondlen */
* potential parameters
*/
+#ifndef ALBE
/*
* tersoff mult potential parameters for SiC
*/
tersoff_mult_set_params(&md,SI,C);
-
+#else
/*
* albe mult potential parameters for SiC
*/
albe_mult_set_params(&md,SI,C);
+#endif
/* set (initial) dimensions of simulation volume */
#ifdef ALBE