I am working with some folks who are curious if it would be feasible to use LAMMPS as the basis for a Kinetic Monte Carlo / Monte Carlo simulation code. I am not to familiar with what exactly they are looking to do or how such codes are generally written, but from what I understand, they would just be using the potential/force functions, and ‘strapping on’ a new solver to handle the particulars of the KMC algorithm.
Has anyone tried that with LAMMPS? Any thoughts on the feasibility of such a thing? Would it be better to go to another code for such things, if so, which one(s)?
David E. Farrell
email: [email protected]…435…