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[ESPResSo] Need access to the CVS version

From: Steven Kirk
Subject: [ESPResSo] Need access to the CVS version
Date: Tue, 24 Mar 2009 20:36:08 +0100
User-agent: Thunderbird (X11/20090318)


I would like to get access to the CVS version of ESPResSo. I have a application where I am trying to model the aggregation of nanoparticles in water using a low volume fraction (4%). I am specifically interested in using the 'analyze aggregation' command to optimise a tabulated interaction potential to maximize the fraction of 'string-like' aggregates of a certain size. I intend on starting with an LJ potential to get the basic aggregation script working, then wrap the optimization procedure around that.

I have read from the version log on the Espresso Wiki that the version of the code that I have (the latest release 2.1.0) has flaws in both the LJ calculation and the aggregation routine.

ESPResSo is the only publically available MD code I have found that can dynamically calculate aggregate sized distributions and handle tabulated potentials, and these abilities are essential for my application.

I would therefore be very grateful for any help from the mebers of this list.

Many thanks in advance,
Steve Kirk

Dr. Steven R. Kirk           <address@hidden, address@hidden>
Dept. of Technology, Mathematics & Computer Science  (P)+46 520 223215
University West                                      (F)+46 520 223299
Trollhattan 461 86 SWEDEN           

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