Re: [Espressomd-maintainer] [ESPResSo-devel] Preparing ESPResSo 3.1

[Olaf Lenz]

Hi!

On 12/06/2011 01:37 PM, Jiajia Zhou wrote:
> This is Jiajia from Mainz. Espresso users here in Mainz (that are 
> Stefan Medina and me), we have implemented two ways to apply an 
> external time-dependent electric fields. Stefan has implemented
> using constraint, and I basically vary the external force every time
> step.

The constraint way sounds to me like the ESPResSo-like way.
Do you have a git repository (e.g. github), where we can have a look at
the code?

> Stefan also implement codes to calculate the dipole moments. He's
> away in California so if you think that would be helpful, I will send
> the codes also. That feature seems pretty similar to the 'timecorr'
> codes Stefan Kesselheim and Peter Kosovan implemented though.

I cannot guess how timecorr and dipole moments can be similar? Timecorr
can be used to compute arbitrary observables that use a correlation
between timesteps, while dipole moments are a specific observable. Is
this about the time correlation of dipole moments?

If so, then it might be useful to implement the dipole moments such that
timecorr can be used.

Olaf

-- 
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607

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