Pol Febrer Calabozo

Hmm that's strange, it also messes up with the styling of the notebook? Perhaps the isolated keyword only works in jupyter notebooks...

I would also like this feature for QM/MM setups :) Perhaps a first step could be to allow atoms to have 0 orbitals but raise an error when trying to...

> How should a default geometry be created? Currently a base of 1 orbital per atom is the default. Probably keeping the current default is the only sane option :)

Is there something to discuss really? Or should I just try and see what happens? One option would be to put all 0-orbital atoms at the end or at the...

Also could we try to merge #496 and #765 first? Otherwise my head will explode with so many different branches to think about :sweat_smile:

Hmm I think it's better not to rush it, so you can publish the release without it. Actually I was waiting for your opinion on the core ideas, because maybe...

Thanks for looking at it! I will go through some of your comments here: 1. Will this be problematic for nodes storing large data-sets? Imagine nodes with grids and doing...

> I'll have to wrap my head a bit more around the node stuff, I am a bit worried it might make the code more complicated and not as intuitive....

2. I want to clarify that I'm not replacing the code in place. When you create a workflow, you get a new object that is the workflow, but the original...

In the last idea, you wouldn't necessarily need to use `_*` for temporal variables, it could also be: ```python @Workflow.from_func(store=["val"]) def my_workflow(a, b): # Temporal values that are not checkpointed...