Dear LAMMPS users,
I would like to know the displacement of each particle during certain time period, e.g. from t0 to t1 the particle moves some distance. Given that the periodic boundary (in my case, only X&Y are periodic) can remap the particles when they cross it, which may lead to more than 1 answer for the calculation of displacement in the post process.
So, may I ask do you have any experience solving this type of problems? Or do you know how to flag/mark the particle if it has ever crossed one of the periodic boundaries? Or is there any way can count one particle how many times it has been remapped by the periodic boundary? Or, if I have to modify the src code, then which file should I look at?
Thanks a lot in advance for any suggestions.