has anybody already tried to calculate the thermal conductivity via the
green-kubo equation and has implemented this calculation into Lammps??
Because I'm trying to do that for a twobody-threebody-potential (SW), but
without any profit. I wanted to implement the computation of the heat flux
in the file pair_sw.cpp because all forces (depending on twobody and
threebody interaction) will there be already present.
I hope you could help me.