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 uca.fr). Contact him directly if you have questions.
Co-authors: Julien Devémy, Agilio Padua.