Moving Atomistic Wall

Please keep the list in the loop.

Is your wall built of overlapping atoms? If so,
then the pairwise interactions between those
atoms is still computed, which could contribute
to INF energy,forces,pressure. If you want
to turn these interactions off, you can use the
neigh_modify exclude options.


OK, that has to be it. I thought the setforce=[0 0 0] would in the end negate all that, but it makes sense.