Hello all. I tried to derive GB mobility based on paper "Modelling Simul. Mater. Sci. Eng. 21 (2013) 045017 " This paper said that to derive GB position, they derive potential energy profile in the z-direction and GB position have maximum potential energy. So I tried to derive potential energy profile in the z- direction by lammps but it was not easy. The lammps manual only sh…

Hello all LAMMPS users, I tried to add rotational motion for molecules with the fix deposit command. The command allows us to give translational energy in x/y/z directions, but as far as I know, it does not have the option to add rotational motion. Naturally, a molecule has these motions (vibrational motion is not considered here). Do you know how to add it? I’m using the follow…

I am about to compile lammps with g++ cmake on a linux system with cuda installed and running for an rtx 4090 What should be the architecture value be for this installation ( e.g. = 80, for Ampere ) ? regards pb 1 post - 1 participant Read full topic

Dear Lammps users I have a few microns of silicon wall in a lab and need to simulate it. My running system is incapable of parsing this structure in the usual ways. Is the CG method used to build this silicon wall ? If yes, how should I proceed and if not, is there an alternative way? 1 post - 1 participant Read full topic