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Re: [ESPResSo-users] Espressomd-users Digest, Vol 35, Issue 3


From: Ulf Schiller
Subject: Re: [ESPResSo-users] Espressomd-users Digest, Vol 35, Issue 3
Date: Thu, 12 Sep 2013 10:01:35 +0200
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On 09/12/2013 08:35 AM, Stefan Kesselheim wrote:
Dear Uday,
I tried your script with less particles and without electrostatics, and reduced 
the number of steps (on my poor small laptop). The output is below, and looks 
perfect.
You behaviour looks as if your time-step was too large: We usually apply t=0.01 
for temperature 1 and mass 1. Your thermal velocity is larger by a factor of 
2.493, and hence I'd try a time step of 0.01/2.493, which is around 0.004.

Just a small addition, without having checked in detail: It may be sufficient to scale with the square-root of the temperature (same scaling as the speed of sound) to keep the Courant number small enough.

Best wishes,
Ulf

--
Dr. Ulf D. Schiller                        Building 04.16, Room 3006
Institute of Complex Systems (ICS-2)       Phone:   +49 2461 61-6144
Forschungszentrum J├╝lich, Germany          Fax:     +49 2461 61-3180

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