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Re: [ESPResSo-users] Simulation of dipole system

From: Rudolf Weeber
Subject: Re: [ESPResSo-users] Simulation of dipole system
Date: Thu, 28 Jul 2011 15:01:31 +0200
User-agent: Mutt/1.5.17 (2007-11-01)


On Thu, Jul 28, 2011 at 12:52:05PM +0000, Sreekumari  Aparna wrote:
> Hello All,
> I am a first year graduate student working on dipole system. I want to 
> simulate ferrofluids. I have tried to write an input file for this purpose. I 
> am getting problems with "dipm" and " part dip" commands. I am attaching the 
> input file here. Can some body help me rectify the bug in my input file.
In general, the dipole moment is best set using just dip, i.e.
part 0 dip $dx $dy $dz
Its magnitude can be set by scaling the vector dx,dy,dz.
Currently, in your script, you scale the dipole moment by box_l, which is 
probably not intended.
To draw a random dipole moment which is equally distributed on the unit sphere, 
one can e.g., draw
phi from 0..2*pi
cos(theta) from -1..1
and then convert from spherical to carthesian coordinates.

Hope that helps.
Regards, Rudolf

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