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Re: [ESPResSo-users] Fwd: Error regarding rotational diffusion

From: Joost de Graaf
Subject: Re: [ESPResSo-users] Fwd: Error regarding rotational diffusion
Date: Mon, 13 Nov 2017 21:18:47 +0000

Dear All,

I agree with Rudolf. However, if you are using active particles, as I suspect you are, based on your last arxiv submission, you cannot use the pressure calculation at all — see the extensive literature on “swim pressure”. 

Best Wishes,


On Mon, 13 Nov 2017 at 21:14, Rudolf Weeber <address@hidden> wrote:
On Mon, Nov 13, 2017 at 11:54:23PM +0530, Nairhita Samanta wrote:
> "*Switching rotation per particle (#define ROTATION_PER_PARTICLE) and
> pressure calculation are incompatible.*"
> if I include gamma_rot in thermostat Langevin although the code is running.
> can anyone tell me what does it mean?
To my understanding, this error message should be removed, since the ideal gas pressure is not influenced by the particles' angular velocities.

Regards, Rudolf

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