Daniel Smith
Daniel Smith
I think it should be the same file, but instead of doing iterations/normal guesses I would just use the python based SAD machinery to do a comparison. The bulk of...
Are you planning to work on this? The deadline has technically passed for submissions.
Quality of life feedback on the managers is always great to hear! I think we can accomplish some of the items that you pointed out: - We can show (approximate)...
We raised the first item in #262. We might be able to get this into the 0.7.0 release this week. Re emailing, it turns out this is possible with built...
Different issue.
Right, I think the idea is `compute` is and always will be pure schema. However, if you want to alter the steps of the object you should be allowed to....
No real preference on the dunder keywords vs nested dictionaries. Curious if anyone else has thoughts here.
@mattwelborn @sjrl Good to get comments from you as well I think.
@mattwelborn Could you consider this issue as well as our overhaul Dataset classes?
I think a clear distinction here is that developing in QCElemental with option 1/2 doesn't necessitate using QCElemental as we will be exporting JSON-Schema to a repo (likely here). QCElemental...