FYI, due to much hard work by Tzu-Ray Shan (U Florida),
we released a new COMB potential for LAMMPS today.
This is the Charge-Optimized Many-Body
potential to LAMMPS originally developed by his advisors,
Profs Susan Sinnott and Simon Phillpot. It also
performs charge-equilibration thru a new fix qeq/comb.
A force field file with parameterizations for several
metals and semiconductors and their oxides is included.
Steve