[lammps-users] compute heat/flux

I’ve recently gone through this lengthy discussion but I still have the following queries.

  1. There was talk about including k-space interactions in compute heat/flux. At the same time, (and as I can tell from lammps documentation) it has been said that the compute won’t include it. What is the status?

  2. Has it been confirmed that compute h/f works with hybrid overlay?

I want to use green-kubo to find thermal conductivity for a system with k-space interaction with superimposed 3-body potentials. For my problem, not even the provided script by German would work since compute pe/atom also does not include long-range interactions. So, has ewald.cpp or pppm.cpp been updated in order to include long-range interactions per atom? If so, since compute h/f can’t do the 3-body part, I’d like to have it compute J for the two-body interactions, then I’ll use German’s script to add the three-body interactions.