Hi,
I want to simulate oxidized Fe. I need to treat dynamic charge transfer as atoms move and their local environments change. I can't just assign fixed charges in my data file, I need a Streitz & Mintmire-like scheme. I don't see this packaged in LAMMPS on the features page, but I was wondering if there were other ways to do this in LAMMPS that I have not realized.
Thanks,
Nicholas J. Lee