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output:lammps

LAMMPS


If write_lammps is set to 1 in the parameter file, a potential in the LAMMPS eam/alloy (DYNAMO multi-element setfl format) format will be written in the postprocessing stage of potfit.

Currently this option only supports EAM and ADP potentials.

The name of the LAMMPS potential file is

<output_prefix>.lammps.<Interaction>

e.g. MgZn.lammps.EAM for a Mg-Zn eam potential.

To use this potential in LAMMPS, put these commands in the input file:

pair_style eam/alloy
pair_coeff * * MgZn.lammps.eam Mg Zn
output/lammps.txt ยท Last modified: 2019/01/27 10:23 by daniel