[lammps-users] Computing a property flux through a surface

Is there any simple way to compute the flux of an atom property through
a surface?
I was thinking on defining a compute property/atom for instance of the
mass, a region consisting on a plane or a thin block, and to compute the
flux of this property across the region.

Thanks in advance, best regards,

Diego Peinado

I don't think LAMMPS has a compute that currently does
anything like this. If you can be more precise about what
you want to measure/compute, I can suggest how best
to implement it. If it is something that needs to be
detected continuously as a simulation runs, like atoms
crossing a region boundary, then you probably need
a fix to do it, not a compute.


2010/5/7 Diego Peinado Martín <[email protected]...>: