Regarding treatment of discontinuity for the simple cut-off based method


For the treatment of non-bonded interactions in my simulations, I am using lj/class2/coul/cut.

I would like to know that for the electrostatic interactions how is the discontinuity arising because of the cut-off method taken care off in LAMMPS?

Thank you,

You request a cutoff Coulomb and you get it. No special treatment.

If you want to have something else, you have to use a different pair style, e.g. lj/class2/coul/long or hybrid/overlay lj/class2 <cutoff> coul/<something> <cutoff>