[Tremolo-users] Stress-strain questions

[Ralf Wildenhues]

Dear Caoch,

* 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
soon now.

> 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.

Best regards,
Ralf
-- 
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