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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 2.0.0.21 (X11/20090318) |
Hello!
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 http://beacon.webhop.org
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