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Thermostats

Operators that couple the system to a target temperature by adjusting velocities or forces directly, rather than replacing the time-integration scheme (see NVT ensemble for the Nosé-Hoover alternative, which does replace it).

  • Berendsen Thermostat — weak-coupling velocity rescaling, appended after the integration step
  • Langevin Thermostat — implicit-solvent damping + random force, inserted into the force-computation step