Thole damping function


I would like to simulate a mixture of water (polarizable using drude particle, point charge with Thole damping function) and co2 (nonpolarizable, point charge). Is there a way for lammps to handle both a (point charge potential) and a (point charge + Thole potential) in an input file? Can I turn off the thole damping function for the point charge co2 model by perhaps changing the damping parameter?

Thank you!

You can use pair_style hybrid (overlay) to sum multiple

potentials. You probably want to exchange emails

with the authors of the USER-DRUDE package

for more detailed Qs. See src/USER-DRUDE/README.