[ase-users] trac ticket

[jensj at fysik.dtu.dk]

> Hello,
>
> I recently submitted a trac ticket to what I thought was your system but
> apparently I sent it to the main trac team instead. There is no clear
> indication on your page of how tickets are submitted without having a user
> id for the wiki system. At any rate, the ticket I submitted can be found
> here:
>
> http://trac.edgewall.org/ticket/8682#comment:1

Thanks for the bug report.

io.py:  Can you do "import matplotlib" without getting this error?

trajectory.py:  Could you try to replace line 10 (del traj) with
"traj.close()" and see how far you then get - just do "python
trajectory.py" to run this test only.

> Perhaps adding some ase specific content to your wiki would be helpful for
> the community, as currently the only thing that distinguishes it from the
> trac wiki template is the ase slug in your url.

I'll put this on our todo list.

Jens Jørgen

> I checked to see if my errors had been reported by reading the previous
> trac
> tickets and could not find anything. I am also not sure how far along you
> guys are in this project but I am a PhD student in physical chemistry with
> a
> focus on solid state physics. I am a VASP user and a python programmer
> interested in implementing algorithms like conjugate gradient, downfolding
> method, etc. In particular I am interested in interfacial energy
> calculations, molecular dynamics simulations, and band structure
> calculations, so I was very happy to find this project. If there is
> anything
> that I could be of help with I would be happy to assist you.
>
> Thanks,
> --
> Amanda Stott
> Graduate Research and Teaching Assistant
> The Department of Chemistry
> Tuscaloosa, AL 35487-0336
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