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Question about thermostat relaxation time

Open winfried-ripken opened this issue 4 months ago • 0 comments

I tried to find the thermostat relaxation times from the configs. Here and for other similar configs, it seems that the thermostat relaxation time for nose hoover is set to 20 times the integration timestep, which would be 20*0.5fs=10fs.

Given that common thermostat relaxation times are in the range of several hundreds fs or even > 1000fs, I was wondering if I misunderstood something, or if there is any particular reason for setting the thermostat relaxation time this low.

winfried-ripken avatar Dec 21 '25 10:12 winfried-ripken