This package implements Drude oscillator methods for simulating polarizable systems in LAMMPS. The package provides the following features:

• tagging particles as cores or Drude particles
• thermostating the Drude oscillators at a distinct temperature

using Langevin or Nosé-Hoover thermostats

• computation of the atom and dipole temperatures
• damping induced dipole interactions using Thole's function

See the file doc/drude_tutorial.html for getting started.

There are auxiliary tools for using this package in tools/drude.

There are example scripts for using this package in examples/USER/drude.

The person who created this package is Alain Dequidt at the Chemistry Institute of Clermont-Ferrand, Clermont University, France (alain.dequidt at univ-bpclermont.fr). Contact him directly if you have questions. Co-authors: Julien Devémy, Agilio Padua.