post processing

Hello everybody,

   I'd like to know if in lammps there is the possibility of making a
heat/flux computation as a post processing.

That is, let's say that I have a trajectory created previously for example by
a dump but I didn't make the heat current calculation on the fly, so I haven't
got the currents. Is it possibile to do a new calculation computing only the
heat flux, reading the positions and velocities from the old trajectory?

Maybe there is some package devoted to that?

      Thanks a lot,

                  Aris

Hello,

http://lammps.sandia.gov/doc/rerun.html ?

Regards,
Oleg

"[email protected]" <[email protected]> 18 мая 2014 г. 14:44:00 написал: