- //virial_calc(ai,&force,&dist_ij);
- //virial_calc(aj,&force,&dist_ij);
- //ai->virial.xx-=force.x*dist_ij.x;
- //ai->virial.yy-=force.y*dist_ij.y;
- //ai->virial.zz-=force.z*dist_ij.z;
- //ai->virial.xy-=force.x*dist_ij.y;
- //ai->virial.xz-=force.x*dist_ij.z;
- //ai->virial.yz-=force.y*dist_ij.z;