Thanks Hello lammps users,

For simulating the conductivity of nanofluid, I should subtract a term from Heat Flux. As is liting in the formula below:

The h in the last term describes in paper is sum of the average kinetic energy,potential energy and average virial terms per parcicle of each species.

I can’t get the virial term of per particle by lammps, could anyone give me some suggstion? thanks very much.

I can’t get the virial term of per particle by lammps, could anyone give me some suggstion?

Compute stress/atom gives the per-atom virial.

Steve