VMD-L Mailing List

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Wed Nov 03 2010 - 05:44:06 CDT

Hi guys,

Here is the numpy port of IED. I did not port or test the "calculate
ED from trajectory" option, but loading the eigenvectors from a file
should work.

Let me know how it works for you.
Jerome

On 13 October 2010 23:33, Jérôme Hénin <jhenin_at_ifr88.cnrs-mrs.fr> wrote:
> Hi everyone,
>
>> The cleanest way would be, of course, to rewrite IED to use numpy.
>
> Coincidentally, I have done (most of) that work recently. I will
> gladly share the result, but right now I can't.
>
> I will post the code here in a few days (as soon as I come home and
> have a little time).
>
> Cheers,
> Jerome
>