[lammps-users] Nose/Hoover temperature thermostat and Nose/Hoover pressure barostat

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1

Dear all,

Usually using Nose/Hoover control, what we will get is a (reference value ± swing) and the time period for the fluctuation. In lammps what we can set are Tstart,Tstop and Tdamp or Pstart,Pstop and Pdamp. It looks Tdamp and Pdamp will control the fluctuation. How can I map the Tstart,Tstop and Tdamp or Pstart,Pstop and Pdamp to (reference value ± swing) and the time period for the fluctuation?

2

The doc pages for fix nvt and fix npt state what the damping
parameter means and how it affects fluctuations. Play with
the commands and try them out.

Steve