R: Re: post processing


   I think you found what I wanted. I made a rerun of the same calculation to
test it and I only find small differences, that is:

Step Temp Press TotEng
       0 320.41719 2488.4412 -436.75548


Step Temp Press TotEng
       0 320.41735 2493.0415 -436.74587

that I hope can be due to the numerical precision with reading and writing the
file (that is in 'formatted' format)

I see also this warning:

WARNING: Inconsistent image flags (../domain.cpp:600)

but I hope this doesn't affect the quantities I compute.


----Messaggio originale----
Da: [email protected]
Data: 18/05/2014 12.47
Ogg: Re: [lammps-users] post processing


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


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

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