[ase-users] Python 2+3 compatible ase-gui
Michael Walter
Michael.Walter at fmf.uni-freiburg.de
Wed Jan 11 12:05:59 CET 2017
Dear Jens Jorgen,
first of all thanks for your effort and the huge amount of work (I imagine)
for porting.
It's easy to complain of course, and I apologize that I have to do it.
Nevertheless, as you asked for it:
Major points:
1. I, personally, extensively use the coloring possibility and this is
mainly gone now.
2. The setup possibilities of bulk, surface and graphene were very useful
also.
Minor points:
1. In my taste, the structures look more ugly now than before. The black
lines around the atom-balls are too thin and the bonds too thick.
2. The forces are not arrows anymore, but sticks.
I do not think that this should be part of a new release yet. We should
rather keep old version until we have ported everything from there.
How about keeping both and let the new version evolve ?
Best,
Michael
2017-01-11 11:36 GMT+01:00 Jens Jørgen Mortensen via ase-users <
ase-users at listserv.fysik.dtu.dk>:
> Hi!
>
> I have finally managed to port ase-gui to Python 3. I'd like some
> feedback before we make an ase-3.13 release.
>
> It's a slightly trimmed down version of ase-gui with some
> features/functionality removed. So, if you feel something important is
> missing, then please let me know.
>
> Install the development version and then give it a try. Please try with
> both Python 2 and 3. You can do that like this:
>
> $ python2 -m ase.gui ...
> $ python3 -m ase.gui ...
>
> Make sure that you are actually testing the new GUI: Click Help -> About,
> and you should see "ASE-GUI (work in progress)".
>
> You can clone the code or download a development-snapshot as described
> here:
>
> https://wiki.fysik.dtu.dk/ase/install.html#installation-from-source
>
> or get it from PyPI:
>
> $ pip install ase==3.13.0b1 --user
> $ pip3 install ase==3.13.0b1 --user
>
> Please report any bugs you find.
>
> Jens Jørgen
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
--
------------------------------------------
PD Dr Michael Walter
Addresses:
- Fraunhofer IWM, Wöhlerstrasse 11, D-79108 Freiburg i. Br., Germany
Tel.: +49 761 5142 296
- FIT Freiburg Centre for Interactive Materials and Bioinspired
Technologies, Georges-Köhler-Allee 105, 79110 Freiburg, Germany
Tel: +49 761 203 95072
email: Michael.Walter at fmf.uni-freiburg.de
www: http://www.functional-nanosystems.uni-freiburg.de/People/PDWalter/group
publications: http://scholar.google.com/citations?user=vlmryKEAAAAJ&hl=en
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