[ase-users] ase-gui no longer displays energy plots by default?

[Eric Hermes]

Hello,

I recently updated the global version of ASE on our cluster from 3.7.0 
to 3.8.1, and I noticed that ase-gui (nee ag) no longer displays energy 
plots for trajectories by default. I spent a lot of time troubleshooting 
my matplotlib and pygtk installations before I realized that this was 
due to line 106 in ase/gui/graphs.py being commented out. Additionally, 
chuan (sorry, I don't know your name) mentioned in the gpaw IRC channel 
that invoking Tools -> NEB would cause not only the splined NEB plot to 
show up, but also any other plots that had been suppressed. This appears 
to happen because ase/gui/neb.py invokes pylab.show(), which is the 
command that is commented out on line 106 in ase/gui/graphs.py. 
Uncommenting this line caused the plots to start showing up again with 
no ill effects. Is this functionality disabled for a reason?

Thanks,
Eric

-- 
Eric Hermes
J.R. Schmidt Group
Chemistry Department
University of Wisconsin - Madison