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thermostat

Julien Steffen edited this page May 3, 2023 · 1 revision

thermostat [identifier]

Which thermostat shall be used to apply the desired temperature to the system. Possible choices are:

  • andersen: The probabilistic Andersen thermostat, the velocities will be rescaled every andersen_step MD steps.
  • nose-hoover: The deterministic Nose-Hoover chain thermostat with a chain length of 4 and a damping factor of nose_damp.

Needs to be part of the nvt or ´npt` sections.

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