I'm writing a dump routine that makes use of our own HDF5 based file
format. I noticed in the dump command docs that the periodic boundary
conditions are only enforced during neighbour list rebuilds and that
these don't necessarily happen on the same time step as the dump. One of
our users would really like to see them enforced before the atom
coordinates are written out.
Is there a way of forcing the rebuild during the dump? If so, what do I
need to add, and would this cause problems with the rest of the