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Re: [ESPResSo-devel] Lattice Boltzmann - Grid Spacing


From: Ulf Schiller
Subject: Re: [ESPResSo-devel] Lattice Boltzmann - Grid Spacing
Date: Thu, 18 Oct 2007 08:07:25 +0200
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Kai Grass wrote:
> Hi again,
> 
> I don't think, that the error is (solely) located in the fluctuating
> part, for the simple reason that the simulations were done at T=0!

How do you measure diffusion at T=0???

Cheers,
Ulf

> Am 17.10.2007 um 09:25 schrieb Ulf Schiller:
> 
> Kai Grass wrote:
>>>>> For grid spacing 1.0, also the properties of a single polymer chain 
>>>>> were verified extensively and compared with Brownian dynamics 
>>>>> simulations. For other grid spacings, it may well be that there was  a
>>>>> factor missing somewhere (most likely in the fluctuating part). I 
>>>>> don't have the time to search for it and the fluctuating part has 
>>>>> been replaced by a corrected implementation anyway (obeying FDT at 
>>>>> the microscopic level, see recent PRE).
>>>>
>>>> Nice paper. With "the fluctuating part has been replaced", do you  mean,
>>>> that you have a new implementation of the Lattice Boltzmann  which is
>>>> not yet checked in to the repository? Is this version fully  replacing
>>>> the current LB implementation?
> 
> There's a version on the lattice-boltzmann branch in the repository
> which will at some point replace the old LB implementation (which
> violated detailed balance for the kinetic modes). I cannot give any
> guarantee that the version on the branch is fully working yet (its very
> experimental still).
> 
> Ulf
> 
> --
> Ulf D. Schiller   *   Room 1.404   *   Phone +49 6131 379-481
> Max Planck Institute for Polymer Research
> Theory Group
> D-55128 Mainz, Germany                   50° 0' N, 008° 16' E
>>

> --
> Dipl. Phys. Kai Grass
> Frankfurt Institute for Advanced Studies (FIAS)
> Room 2|403
> Ruth-Moufang-Strasse 1
> 60438 Frankfurt am Main
> Germany

> phone: +49 69 798 47533
> fax:   +49 69 798 47611
> mail:  address@hidden <mailto:address@hidden>
> web:   www.fias.uni-frankfurt.de/~grass
> <http://www.fias.uni-frankfurt.de/~grass>


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- --
Ulf D. Schiller   *   Room 1.404   *   Phone +49 6131 379-481
Max Planck Institute for Polymer Research
Theory Group
D-55128 Mainz, Germany                   50° 0' N, 008° 16' E
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