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Re: [ESPResSo-devel] ESPREsSo v3.4

From: Henri Menke
Subject: Re: [ESPResSo-devel] ESPREsSo v3.4
Date: Wed, 26 Sep 2018 09:01:50 +1200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:52.0) Gecko/20100101 Thunderbird/52.9.1

Dear Nader,

The Stokesian dynamics feature was removed because it has several issues:

Another issue was that there was no formal verification of correctness
by means of a testcase.  That means the Espresso testsuite did not check
whether Stokesian dynamics was working.  Moreover, no test configuration
existed which checked that Stokesian dynamics even compiled!  That is
why it was ultimately removed:

If you are keen, you can check out the commit right before this pull
request was merged and try to compile it, but I doubt that it would.

  git checkout -b sd_2 98e02c0b8

Finally, I want to note that a new implementation of SD is in the
making, which unfortunately will not include short-range lubrication
effects (at least not in the beginning).  However, it will work on both
CPU and GPU.  I hope to be able to finish this during the Espresso
summer school in two weeks.

Kind regards,

On 26/09/18 05:25, Nader Dehghani wrote:
> Hi,
> I am trying to use ESPReSo MD simulator toolkit to perform Stokesian
> dynamics simulations. I came across the doucmentation of v3.4 published in
> July 2016, which includes Stokesian dynamics. However, I cannot find any
> file associate to it online.
> I would really appreciate it if you can help me with that.
> Bes regards,

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