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

Peterson, Andrew andrew_peterson at brown.edu
Fri Dec 16 15:17:17 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.)

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