Dear list,

According to the important note on the compute heat/flux page (http://lammps.sandia.gov/doc/compute_heat_flux.html):

" The compute pe/atom and compute stress/atom commands have options for which terms to include in their calculation (pair, bond, etc). The heat flux calculation will thus include exactly the same terms. Normally you should use compute stress/atom virial so as not to include a kinetic energy term in the heat flux."

My question is: Does the kinetic energy aforementioned correspond solely to its contribution to the stress calculation or by using it (similarly to what is shown in the Argon example) the translation kinetic energy contribution to the heat flux will be also disregarded?

Thank you,

Sib