Dear all,
The stress/atom just calculate the pair stress between particles,not including the pair stress for the wall and particle. For my case, the pair stress between wall and particle is very important.
Is it possible for the developer to update this recently?
If not, how should I modify the pair.cpp, only the simple process is Ok.
Many thanks,
Leo
ckloss | Thu, 12/10/2015 - 22:26
Hi Leo,
Hi Leo,
yes - correct. Currently only particle-particle contacts are included in the stress calculation.
Typically this is ok, since the force get's transfered into the bulk through the first layer of particles which contacts the wall.
So there are currently no urgent plans of adding p-w contributions to this - unfortunately this is not simple coding where someone can guide you through
best wishes
Christoph