Michael F. Herbst

But that causes trouble for the diagtol mechanism for example. There you need to go to the next level of indirection (i.e. cache the arguments passed to diagtol rather than...

Yeah two people falling into that trap sounds like we should do something about it, so good you raised the issue @umbriquse .

Partially tackled in #524.

Yes, even though that still involves quite some changes in the code compared to the other HPC aspects.

Related PRs: #711 and #712.

Also while one is on it, remove the constraint that the number of bands is identical in each k-Point.

But we have, right in this file: https://github.com/JuliaMolSim/DFTK.jl/blob/master/docs/src/index.md. I'm not sure what the issue actually is. Maybe lacking documentation that is fair, but could you describe more precisely what you...

I wanted and you said it was "obviously" just `julia make.jl` :smile:. Also there is the README which tells you to run the build script :smile:. Actually I don't think...

> Also, I have removed the Abinit blow-up function because it is equivalent to the CHV one for a blow-up of order 1. So the Abinit one only ensures C^1...

@LaurentVidal95 I made a few modifications (mostly type stability and I also added a convenience flag to switch between blowups as I think that will be very useful). One thing...