pair_coeff enquiry

LAMMPS LAMMPS Mailing List Mirror
1

Dear lammps users,

I was wondering whether setting a pair_coeff to a specific value and identifying 2 bond types will be problematic if no bonds of type 2 exist in the structure (intentionally)? This does not produce any warnings, however, I am slightly concerned that this might somehow interfere with the first (and only) bond_coeff that I have.

Thank you very much in advance!

A

2

The pair coeff setting and # of bond types don't depend on each other.
When you set # of bond types in a data file, you only have to provide
bond coeffs for all of them. It is fine if you don't actually have any
bonds in your topology list of a specific type.

Steve