[lammps-users] how can i fix the orientation of ellipse

LAMMPS LAMMPS Mailing List Mirror
1

Thanks Steve. I've achieved it with "fix freeze". And one can just remark the bellow lines in fix_freeze.cpp then can just fix the orientation.

void FixFreeze::post_force(int vflag)
{
  double **f = atom->f;
  double **torque = atom->torque;
  int *mask = atom->mask;
  int nlocal = atom->nlocal;

  for (int i = 0; i < nlocal; i++)
    if (mask[i] & groupbit) {
   // f[i][0] = 0.0;
   // f[i][1] = 0.0;
  // f[i][2] = 0.0;
      torque[i][0] = 0.0;
      torque[i][1] = 0.0;
      torque[i][2] = 0.0;
    }