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Re: [ESPResSo-users] Few quick questions. Electrostatics, LB.


From: Axel Arnold
Subject: Re: [ESPResSo-users] Few quick questions. Electrostatics, LB.
Date: Wed, 4 Feb 2015 18:09:41 +0100

Hi!

> On 04.02.2015, at 13:52, Harmanjit Singh <address@hidden> wrote:
> 
> And I think I will have to have a non periodic_BC if I want the particles to 
> move in all three directions (by electrostatic forces). The maximum 
> periodicity that can be allowed for my problem is only in Z direction.

Yes, that is what you need, but electrostatics for this periodicity is only 
provided by MMM1D, which is pretty slow. You can use Debye-Hückel with zero 
inverse screening length to get plain Coulomb interactions, which are cheaper. 
You don’t get any periodicity, but probably also don’t really need that, since  
periodic effects along a 1d cylinder are pretty weak.

Best,
Axel

------------------------------------------------
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Phone: +49 711 685 67609




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