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lammps/examples/PACKAGES/drude
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Example simulations of polarizable systems using Drude oscillators
==================================================================

Each example comes in several versions for demonstrating the use of
Langevin, Nosé-Hoover and temperature-grouped Nosé-Hoover thermostats.

* `butane` -- simulation in NVT ensemble with Thole damping

* `toluene` -- simulation in NVT ensemble with Thole damping and
use of the `extra/special/per/atom` keyword

* `ethanol` -- simulation in NpT ensemble with Thole damping

* `swm4-ndp` -- 4-site rigid water model in NpT ensemble (no Thole
damping)

* `ethylene_glycol` -- simulation in NpT ensemble with Thole 
and Tang-Toennies damping and with Nosé-Hoover thermostat