Hi Lammps users,
Does anyone know if Lammps uses a minimum image convention for lj/cut pair style? Is there a way to implement it?
Standard practice is to set the cut-off so that at most one
image is in range. In that sense, LAMMPS uses a minimum image
convention. Bad things happen if you set the cut-offs to more
than half a box length. In addition, your neighbor list range
is too large if it should count multiple images of the same
atom.
So the short answer is no and implementing it is unnecessary
because other commands exist to get around the problem.
Joanne Budzien
There are min image routines in domain.cpp, but pair
styles don't use them. The ghost atoms have already
had box lenghts added/subtracted, so there's no need.
There is also no problem using a cutoff longer than the
box length.
Steve