Hello all,
I am using compute_stress/atom ke pair. And in Documentation it is mentioned that it doesn't include the contribution of average velocity in kinetic energy contribution. Is there a simple method to include that as well in stress calculation? So right values of stress which will be dumped.
Thanks in advance.
pnkumar
ckloss | Mon, 02/15/2016 - 19:21
Hi pnkumar,
Hi pnkumar,
there is no easy way to add it to compute_stress/atom ke pair. But have a look at fix ave/euler, this might be what you're looking for!
best wishes
Christoph