Dear Steve and Lammps Users,
I am puzzled while calculating the average of a stress component (e.g. pxx) in a group of atoms and then output it in themal_style. The script I tried for this purpose is given below.
Dear Steve and Lammps Users,
I am puzzled while calculating the average of a stress component (e.g. pxx) in a group of atoms and then output it in themal_style. The script I tried for this purpose is given below.
Is this happening with the most current (fully patched) version?
If so, I'll look at it when I'm back in the office next week.
Steve
Thanks Steve.
I tested the script using the most current version (7 JULY 2009) today and the problem still exists.
Thanks again if you get time to check it after Thanksgiving.
Yujie
I added your lines of code to bench/in.lj, as below, and
it runs fine with the current (fully patched) version of LAMMPS.
I had to change 2 group names (group1, middle) to all, since
I don't know what those 2 groups mean.
Steve
Thanks, Steve. I was attending a conference and didn't get time to check it.
I remember that I used the up-to-date version but will try it again.
Yujie