[lammps-users] thermal conductivity contribution from bonded and non bonded terms

Hello LAMMPS users,

I am using the LAMMPS window version 19 March 2020.

I am using the pcff force field. I have crosslinked epoxy and calculated thermal conductivity of epoxy. Is it possible to identify contributions from non bonded and bonded terms in terms of thermal conductivity?

Thanks and regards,

I cannot think of a way that doesn’t include modifying the LAMMPS C++ code in a significant way.

Thank you, Axel.