CLAYFF force field

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1

Dear all,

Is there CLAYFF force field in Lammps. If there is anybody sucessfully did that before use Lammps? I checked the maillist, only found some guy also trying to use CLAYFF in Lammps but probably didnt make it. http://lammps.sandia.gov/threads/msg22280.html is the link last year looking for CLAYFF force field in Lammps.

Thanks a lot!

Bests,

Eric

2

I may be mistaken but I think CLAYFF is a specific parameterization
of potentials (pair, bond, angle, etc) whose functional
forms are already in LAMMPS. Thus you simply need
the parameters (coefficients) to input into LAMMPS for
your model.

The Sandia folks CCd can give you more details as they
are in the group that developed CLAYFF.

Steve

1 Like
3

Steve is correct. CLAYFF is frequently used with LAMMPS, but it is up to the user to find a way to create input files with the relevant settings and parameters. Some people use the msi2lmp tool included with LAMMPS; others use scripts they've created. I'm not aware of an 'easy' way to set up a CLAYFF simulation.

Craig