-#ifdef DEBUG
- if((ai==&(moldyn->atom[0]))|
- (aj==&(moldyn->atom[864]))|
- (ak==&(moldyn->atom[1003]))) {
- printf(" -> %f %f %f\n",exchange->ci2di2,frac,h_cos);
- }
-#endif
-
printf("force 3bp (j2): [%d %d sum]\n",ai->tag,aj->tag);
printf("adding %f %f %f\n",force.x,force.y,force.z);
if(ai==&(moldyn->atom[0]))
printf("force 3bp (j2): [%d %d sum]\n",ai->tag,aj->tag);
printf("adding %f %f %f\n",force.x,force.y,force.z);
if(ai==&(moldyn->atom[0]))
f_c,b,f_a,f_r);
printf(" %f %f %f\n",exchange->zeta_ij,.0,.0);
}
f_c,b,f_a,f_r);
printf(" %f %f %f\n",exchange->zeta_ij,.0,.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);
}
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);
}
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 j: %f %f %f\n",aj->f.x,aj->f.y,aj->f.z);
}
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 j: %f %f %f\n",aj->f.x,aj->f.y,aj->f.z);
}
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 k: %f %f %f\n",ak->f.x,ak->f.y,ak->f.z);
}
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 k: %f %f %f\n",ak->f.x,ak->f.y,ak->f.z);
}