Hello,
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
and
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.
Aris
----Messaggio originale----
Da: [email protected]...
Data: 18/05/2014 12.47
Ogg: Re: [lammps-users] post processingHello,
http://lammps.sandia.gov/doc/rerun.html ?
Regards,
Oleg"[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
computing