Hello all,
Just curious to know if there was a quick way of calculating a charge flux across a plane in my simulation box. I haven’t found anything in the LAMMPS documentation…
Thanks !
-Tom
I think you’ll have to do this one in post-processing. You can define a region which occupies a small volume around your plane, then use dump and dump_modify region to get only those atoms which are in the vicinity of your plane (and so keep the filesizes down).