- /* derivative wrt i */
- v3_scale(&force,&dist_ik,dfcg);
- v3_scale(&tmp,&dcosdri,fcdg);
- v3_add(&force,&force,&tmp);
- v3_scale(&force,&force,pre_dzeta);
-
- /* force contribution */
- v3_add(&(ai->f),&(ai->f),&force);
-
-#ifdef DEBUG
- if(ai==&(moldyn->atom[0])) {
- printf("force 3bp (k2): [%d %d %d]\n",ai->tag,aj->tag,ak->tag);
- printf("adding %f %f %f\n",force.x,force.y,force.z);
- printf("total i: %f %f %f\n",ai->f.x,ai->f.y,ai->f.z);
- }
-#endif
-