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.
Thanks,
Jeetain