exclude constraint force contribution in the virial pressure

Hello lammps use,

anyone knows how to exclude the constraint force contribution of rigid
body in the calculation of the internal pressure.

Thanks you.
Best
Samuel

Hello lammps use,

anyone knows how to exclude the constraint force contribution of rigid
body in the calculation of the internal pressure.

you can turn off the (non-bonded) force computation inside the rigid
bodies with "neigh_modify exclude". bonds etc. will have to be turned
off explicitly.

axel.

If you are asking about the constraint forces, I assume

you mean the virial term that fix rigid computes internally

due to the forces added to keep the body rigid.

It is part of the total pressure by default. If you want to exclude

it from the pressure calculation, then see the doc

page for the compute pressure command and the “fix”

keyword option which you can include or exclude. In this

case, that is what fix rigid is calculating.

Steve