how to define hydrid pair potential function in data file

Hi, guys.

I am dealing with the model with more than 2 pair styles: LJ potential and coul potential. How to define them in data file which can be read into Lammps? thanks!



In that case, do not include a "Pair Coeffs" section in your data file
(or a "Data Pair Section" in your .LT file). Instead put several
pair_coeff commands (followed by the pair_style) in your lammps input
script (somewhere after the "read_data" command and before the "run"

Example attached. Also see the documentation here:

Andrew (701 Bytes) (2.96 KB)

As Andrew says, it is generally better to define
the pair coeffs for hybrid in your script. But the
ones that have I = J can also be put in the data
file, just like for non-hybrid pair styles. The pair
hybrid doc page explains how to do that.