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Re: [ESPResSo-users] Brownian dynamics in espresso
From: |
Hender Lopez |
Subject: |
Re: [ESPResSo-users] Brownian dynamics in espresso |
Date: |
Wed, 6 Dec 2017 10:26:37 +0100 |
Dear Henri,
Thanks for your quick reply and detailed explanation.
Cheers,
Hender
On Tue, Dec 5, 2017 at 10:43 PM, Henri <address@hidden> wrote:
> 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
>>