1Example simulations of polarizable systems using Drude oscillators
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4Each example comes in several versions for demonstrating the use of
5Langevin, Nosé-Hoover and temperature-grouped Nosé-Hoover thermostats.
6
7* `butane` -- simulation in NVT ensemble with Thole damping
8
9* `toluene` -- simulation in NVT ensemble with Thole damping and
10use of the `extra/special/per/atom` keyword
11
12* `ethanol` -- simulation in NpT ensemble with Thole damping
13
14* `swm4-ndp` -- 4-site rigid water model in NpT ensemble (no Thole
15damping)
16
17* `ethylene_glycol` -- simulation in NpT ensemble with Thole
18and Tang-Toennies damping and with Nosé-Hoover thermostat
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