Dear users,
thank you for your constructive answer last time about choosing certain atoms in lattice.
How do you think is possible to calculate total number of missing atoms in lattice as a result of radiation irradiation?
There is compute cna/atom command but it computes this quantity for all atoms not only lattice atoms.
Best wishes
this would probably be easier to do as a post-processing step,
i.e. find vacancies. Can't think of a simple way to do that
within LAMMPS.
Steve