Steve and all,
I am trying to implement 2nn MEAM potential in lammps. Prior to do that, I’ve checked the original MEAM version and I discovered the neighbor list of atoms is even not correct. Specifically some of neighbor list in firstneigh_half are out of atom numbers, which does not make sense. I understand that the tricky is probably from the different array index for Fortran and C. I’m hoping you can give me some hints on this weird error. I understand the building of neighbor list is trigged by neighbor-request in PairMEAM::init_style(). I just want to make sure when the force cutoff will be reading from the potential files? After the MEAM parameters are set? I have to say I’ve not quite understood the entire structure of lampps. But I do want to learn it in detail and I know it is not easy.
For now, could you check with me why this happened? I can send you my files and results if you wish.
Thank you very much!