Michele Ceriotti

well, it's actually kind of working. there are some problems handling multiple viewers and the synchronization with the map. I think it however might be good to keep this on...

I'd leave it on if you don't mind. I think it might take half an hour if we look at it together.

This would be an excellent feature, but it is unclear (1) how much support is there for this kind of idea in plotly and (2) how much this would weigh...

I think one possibility that would combine a lot of advantages and be relatively easy would be to have the query generate a chemiscope .json that is then loaded dynamically,...

Sounds great. Would you want to take care of this? With @joshmore we had also thought to reorder the trajectory i/o subroutines by putting them all in a single file....

I agree. It would be nice to have a common function that writes out and reads in, with an argument that specifies which format to use. Ideally, one could optionally...

Even better, if you could update the inputs and either send us a patch or open a PR we'd be very very grateful. On 21 November 2017 at 15:43, Venkat...

I have recently seen the documentation for plumed 2 http://plumed.github.io/doc-v2.0/user-doc/html/index.html This is done in doxygen. I have to admit it does look very nice, and that documentation in sphinx tends...

Don't have time right now but I wouldn't want this to go away - it's important and would save a lot of fiddling with non-periodic structures. Personally I would implement...

> > I would compute and set the "fictitious cell" non destructively > > Would a preliminary copy of the input object be sufficient to address your comment ? yes....