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Re: [ESPResSo-users] AdResS - state of the art

From: Olaf Lenz
Subject: Re: [ESPResSo-users] AdResS - state of the art
Date: Thu, 14 Nov 2013 11:18:42 +0100

When it comes to AdResS, ESPResSo++ is definitely the way to go. ESPResSo only contains a proof-of-concept implementation of ADResS, which does not have any performance advantage over a highres simulation.


2013/11/14 Jakub Krajniak <address@hidden>

Rather general question but I am wondering what is the state of the AdResS implementation in both projects (espressomd, espresso-pp)? 
The sample in espressomd is somehow not promising as there are some old commands (bond_length_ave, polyBlockWrite, checkpoint_set). It is not a problem (and can be fixed) but raise some concerns that the code of AdResS is rather abandoned.. On the other hand the espresso-pp is rather young project but it already gets the fresh ideas like H-AdResS so I am a little bit confused.

Jakub Krajniak

Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-63607

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