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Re: [ESPResSo-users] Particle in Fluid, periodic boundary conditions


From: Ulf Schiller
Subject: Re: [ESPResSo-users] Particle in Fluid, periodic boundary conditions
Date: Fri, 28 Nov 2014 15:30:20 +0000
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:31.0) Gecko/20100101 Thunderbird/31.2.0

There should be tests for these things - it is one of the cases where
unit tests will work (although I recognize that unit tests are not the
holy grail of scientific software engineering).

Cheers,
Ulf

On 28/11/14 15:27, Joost de Graaf wrote:
> Dear Markus,
> 
> Sorry about that. The ENGINE branch on hmenke's git account
> 
> https://github.com/hmenke/espresso/tree/engine
> 
> has a fix for the bug. As I said, I recalled seeing something like it,
> and at that time we apparently fixed the problem (which I cannot
> remember doing). We are still working on one last testcase for the
> ENGINE branch, before we have it pulled into the Master, which will take
> about a week. Then a lot of the LB bugs should be fixed.
> 
> Kind Regards, Joost
> 
> On 28 November 2014 at 16:24, Joost de Graaf <address@hidden
> <mailto:address@hidden>> wrote:
> 
>     Dear Markus,
> 
> 
> 
>     On 24 November 2014 at 21:24, Joost de Graaf
>     <address@hidden <mailto:address@hidden>> wrote:
> 
>         Dear Markus,
> 
>         I remember spotting something like this in one of the older
>         versions of the master, but I tried to find it and could not
>         reproduce the bug with the latest version, which one are you using?
> 
>         KR, Joost
> 
>         On 24 November 2014 at 19:35, Ulf Schiller <address@hidden
>         <mailto:address@hidden>> wrote:
> 
>             Hi Markus,
> 
>             On 24/11/14 18:12, Wink, Markus wrote:
>             > can explain it to me? It seems, that the periodic boundary 
> condition in
>             > the LB Fluid doesn’t work. If I remove the fluid I don’t see 
> that.
> 
>             Yes, looks like something is at odds with the periodicity
>             here. Can you
>             plot the z-velocity over x-position? That may point towards
>             what is
>             going wrong.
> 
>             Cheers,
>             Ulf
> 
>             --
>             Dr Ulf D Schiller
>             Centre for Computational Science
>             University College London
>             20 Gordon Street
>             London WC1H 0AJ
>             United Kingdom
> 
> 
> 
> 
> 


-- 
Dr Ulf D Schiller
Centre for Computational Science
University College London
20 Gordon Street
London WC1H 0AJ
United Kingdom

Phone: +44 (0)20 7679 5300



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