Re: [ESPResSo-users] Brownian dynamics in espresso

[Henri]

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).
https://github.com/espressomd/espresso/pull/1094

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.
https://github.com/espressomd/espresso/issues/1360

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
>