Jimmy Shen

@utf let me know if this change looks OK, I can start writing the other tutorials.

Hi @nwinner, the flow is already in common. The parts that should be language agnostic have been left as abstract methods. I also added a tutorial on dealing with DFT-code...

agreed, so I guess this change should happen when the document models move to emmet eh? I linked this in the other thread. We should tabulate a list of these...

> What sort of querying are you thinking about? If you add formulas you can always query using regex matching. I'm thinking about how builders for smaller research projects typically...

@utf so I think the problem here is that `self.name` gets modified by things like `append_name` which basically indicates that you should change it as part of your workflow. But...

Added a builder to populate the cross ref data https://github.com/materialsproject/emmet/pull/133

I will add some kind of simple smoothness check for the CHGCAR and AECCAR. I have only seen the AECCAR exhibit this problem (picture below)

I haven't collected statistics on the success rates but rerunning the calculations seemed to fix some of these.

OK sound good I will add an example "bad" output and the validator. I would still like to keep the checks on the atomate side as a fail-safe.

I think the concern was about ingestion of old tasks into MP releases. For that, I thank what Matt suggested makes sense. I have a simple test in the atomate...