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Re: [ESPResSo-users] Brownian dynamics in espresso

From: Henri
Subject: Re: [ESPResSo-users] Brownian dynamics in espresso
Date: Wed, 06 Dec 2017 10:43:18 +1300

Dear Hender,

The Brownian dynamics integrator was removed at some point because the 
implementation was
architecturally flawed.  The main integration loop had been duplicated and 
diverged that far, that
certain features which had been implemented later were not forwarded to BD and 
thus not available.
Hence, the decision was made to completely remove BD (which was interwoven with 
Stokesian Dynamics).

Apparently Theo Tanygin is currently preparing a reimplementation of BD but it 
is unlikely that it
will be included in the upcoming 4.0 release.

Cheers, Henri

On Tue, 2017-12-05 at 22:09 +0100, Hender Lopez wrote:
> Hi all,
> Searching in the archive of the mailing list I see that at some point
> there was an implementation of Brownian Dynamics in Espresso (at least
> in the developer version). Is this implementation still available (I
> haven't found it)?
> Thanks in advance for your help.
> Best,
> Hender

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