thanks Axel for the reply
Is it possible to calculate heat flux using compute heat/flux in molecular basis? can we use “chunk” commands for that?
thanks Axel for the reply
Is it possible to calculate heat flux using compute heat/flux in molecular basis? can we use “chunk” commands for that?
What does the documentation say? If it doesn’t say you can do it, than it means that you cannot.
Also, why should there be a difference?
Finally, why worry about such complex matters when you obviously have much more fundamental problems with running proper lammps simulations?
Axel