About the .dff file in LAMMPS drude

LAMMPS LAMMPS Beginners
1

Hii everyone,

I am new to LAMMPS and want to use it for drude model. In the paper “Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator”, about phenol.dff file is mentioned. According to paper it contains information related to drude particle, like charge, force constant, polarizability, thole etc. But it is not completely clear that what would be the format of this file. Can anyone guide me here?

Thanks,
Megha

2

Always start with checking the documentation: 8.5.7. Tutorial for Thermalized Drude oscillators in LAMMPS — LAMMPS documentation