I am Arif, PhD student. I am running a case in LAMMPS, where I have 2 components (Au and water) and 2 phases of the water (liquid and vapor). My case has mass and heat fluxes during evaporation and condensation using TIP4P-Ew water model. I need to calculate entropy generation for each phase and at the interface as well. Is there any way to calculate entropy without internal variables?Just using some lammps command.
It will be a great help if anyone can guide me on that.
Thank you very much.