neighbor	0.3 bin

neigh_modify	delay 0

fix		1 all nve/dipole

fix		1 all nve/sphere update dipole

fix		2 all enforce2d

timestep	0.005

thermo_style	dipole

compute		erot all erotate/sphere

thermo_style	custom step temp epair c_erot etotal press

thermo		500

dump		1 all custom 200 dump.dipole tag type x y z mux muy muz

    for (int i = 1; i <= atom->ntypes; i++) {

      if (shape[i][0] != shape[i][1] || shape[i][0] != shape[i][2])

	error->all("Compute rotate requires spherical particle shapes");

	error->all("Compute erotate/sphere requires spherical particle shapes");

      inertia[i] = 0.25*shape[i][0]*shape[i][0] * mass[i];

    }

  }