Does anyone use the XYZ format option for LAMMPS dump files?
We're about to release code written by Naveen Michaud-Agrawal
for a couple of new dump formats (DCD and XTC) which have
the requirement that one dump all atoms (no subsets). They
also dump atoms in a sorted fashion, even in parallel, due to a
clever trick Naveen devised.
I'm thinking of making the XYZ dumps work the same way, since
XYZ files don't include atom IDs and thus are not very useful
when unsorted. But this would mean XYZ files have to contain
all the atoms in their snapshots, not allowing for subsets.
Does anyone who uses XYZ files see a problem with that?