Query on specifying potential

Hi there,

I have a question regarding specifying different kind of atoms in my LAMMPS script. I am trying to use diamond and silicon involving water. Is this an appropriate way of describing it?

Many thanks,
Saurav

group hy type 1
group ox type 2
group c type 3
group si type 4

set group ox charge -0.8476
set group hy charge 0.4238

pair_style hybrid/overlay lj/cut/coul/long 10.0 tersoff
pair_coeff * * lj/cut/coul/long 0.00774378 0.98
pair_coeff 2 2 lj/cut/coul/long 0.1502629 3.1169
pair_coeff 1 2 lj/cut/coul/long 0.0341116368 2.04845
pair_coeff * * tersoff albe.tersoff NULL NULL C Si
bond_style harmonic
bond_coeff 1 176.864 0.9611
angle_style harmonic
angle_coeff 1 42.1845 109.4712
kspace_style pppm 1.0e-5

The use of pair hybrid/overlay seems OK to me. But

you should test your model carefully.

Steve