[ase-users] viewing structure in jupyter notebook and vasp calculator

Gaël Donval G.Donval at bath.ac.uk
Fri Dec 16 16:00:25 CET 2016


> That works great on my system. If we wanted to, we could code up
> those
> three lines (but probably writing to a tempfile.NamedTemporaryFile)
> into a
> function called  "ase.visualize.jupyter_view". This would make it
> easy on
> new users who are gaining experience with ASE via Jupyter. (I know
> students
> in my classes would appreciate this.)
That's working here too. I wouldn't use that on my laptop on battery,
but otherwise, it seems quite fine and it fits well to the concept of
notebook.


> 
> Obviously, this solution doesn't allow movies and such, but would be
> quite
> valuable for building structures, etc.

AFAIK, just like SVGs, X3D supports interactions and animation, though
I am neither sure this is supported by the web-browsers nor that it
could be without eating 400 MB and 2x100% of CPUs.

Cheers,
Gaël



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