[Tremolo-users] Stress-strain questions
wildenhues at ins.uni-bonn.de
Tue Feb 19 10:29:52 CET 2008
* caoch wrote on Tue, Feb 19, 2008 at 08:15:05AM CET:
> I have some questions for the simulation run.
Thanks for your interest in Tremolo. We have made a package available,
but not yet announced it, because there are a few known issues we'd like
to still fix first. Announcement and updated package are to follow real
> 1) According to the above paper, such simulation should be done by add
> a tensile load with a stress rate. I think this is a Non-equilibration MD
> approach. However, the simulation parameters file seems only allow
> equilibration setting. How can I define these parameters into the simulation
> parameters file?
I'll make sure there is a non-equilibration example in the tree, and at
least a bit of documentation for the add-on tools.
> 4) Is there a complete manual of Tremolo? Because I want to understand
> the properties of the program (including calculation algorithms, results
> analysis tools and so or) absolutely.
At this time, such a thing does not exist, unfortunately. Most
algorithmic details are explained in the published book, and we're
working on a docbook-style document for the simulation code.
Ralf Wildenhues University of Bonn, Department of Numerical Simulation
Wegelerstrasse 6, 53115 Bonn, Germany
tel: +49 228 733178 mailto:wildenhues at ins.uni-bonn.de
fax: +49 228 737527 http://wissrech.ins.uni-bonn.de/people/wildenhues.html
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