I am doing cascade simulation using LAMMPS. I have used Periodic
Boundary Condition (PBC) for this calculation. It is well understtod
that in PBC whenever an atom goes outside the MD simulation box it
should appear on the other side within the box. Therefore, if initial
coordinates of atoms fall in between, say, 0 to L (where 0 is taken as
origin), using PBC we should expect the coordinates of the atoms will be
always with in the box, i.e. it can not be negetive or greater than L.
But, In my calculation (in dump file), I am getting some coordinates
negetive and some coordinates greater than box length.
My question : Why is it so?
Does LAMMPS use PBC only during the force calculation and
during printing coordinates it does not do so?