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Re: [ESPResSo-devel] Correlators


From: Stefan Kesselheim
Subject: Re: [ESPResSo-devel] Correlators
Date: Tue, 6 Dec 2011 15:38:15 +0100

Hallo Ulf,

Am 06.12.2011 um 12:18 schrieb Ulf Schiller:

> On 12/06/2011 11:54 AM, Olaf Lenz wrote:
>> Hi everybody!
>> 
>> I have just created a new branch "correlator" on the ESPResSo main
>> repository. It contains the code of the generic correlator interface,
>> invented by Stefan Kesselheim and Peter Kosovan.
> 
> Is this going to be merged with the acf-interface I started on the LB branch 
> long ago?

If I am not mistaken, you never wrote something beyond messages like "this 
needs to be implemented". It is probably in a similar spirit, but quite 
powerful and general, and easily extensible. It e.g. can correlate general 
observables, with a time resolution that decreases logarithmically when lag 
times increase. We spend quite some time in its developement :-). It can also 
be used to calculate dynamic structure factor and similar quantities...

Cheers
Stefan

> 
> Best,
> Ulf
> 
>> It allows to easily implement any observable on the C-level that
>> computes correlations between different timesteps. This will make it
>> much easier to compute e.g. mean-square displacements of particles.
>> 
>> The User's Guide contains some documentation on how to use it.
>> 
>> Please test the new feature! If no big errors are reported, we will
>> merge the feature to the master branch at around Xmas.
>> 
>> Olaf
> 
> -- 
> Dr. Ulf D. Schiller                        Building 04.16, Room 3006
> Institute of Complex Systems (ICS-2)       Phone:   +49 2461 61-6144
> Forschungszentrum J├╝lich, Germany          Fax:     +49 2461 61-3180
> 

Stefan Kesselheim
Institute for Computational Physics
University of Stuttgart
address@hidden






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