[lammps-users] Pressure calculations with walls

Hi All,

I have added an external potential similar to wall/lj93 but with
distance away from the wall dependent on other two dimensions. This is
done to model a rough wall with a sinusoidal function of the form:

E = epsilon*f(z - z0(x,y)), where f is a function of z distance away
from the wall and the position of the wall z0 is dependent on x & y
direction as well.

To account for x & y forces arising from this type of potential, I have
added 2 lines similar to the following existing statement for z-direction:
f[i][dim] -= fwall;

My question is: I want to exclude these additional forces due to wall
from the pressure calculations for pxx & pyy. I am struggling a bit to
find the files and actual statements where forces due to fix are added
to calculate virial and then pressure. Any help will be much appreciated.


Wall force don't contribute to the virial. The only
fixes that contribute to the virial are those that
call v_tally(), such as fix shake and fix rigid.