Michael F. Herbst

Quick update: Actually you raised a couple of good points there, which I did not manage to think about properly so far, since I had a pretty busy week. I...

First of all: Cheers for your quick reply. I managed to achieve the shortening of the sequences by a similar procedure to what you described above. I used `rc::gen::scale` to...

Is it possible to cache the `size` somehow? If there is then I think caching that value and resetting it later on the `state::gen::execOneOf` is indeed better for the means...

Oh I just realised that I understood the `gen::withSize` generator wrong: I thought it would only allow me to use an inner generator with a ever-_fixed size_. I agree now...

Hmm I still have problems there as well. I experimented with a few things there. My first thought was that in order to get sensible results after a few computations,...

As a suggestion: It would be great if you could fix your decisions by providing a [`.clang-format`](http://clang.llvm.org/docs/ClangFormatStyleOptions.html) file, which allows to automatically check or apply these formatings to the C++...

Hi and thanks for this report. Modulo the threading / parallelisation aspect, I also find it hard to think of a place we would be loosing a lot of time...

Minor point (probably not so revelant): The smearing also differs. We use Fermi-Dirac by default. Also we apply a kshift by default if the kpoint grid is even, so the...

Ah sorry I overread that. I'd still be interested in the number of SCF steps though ;)

I'll try to give it a go tomorrow. Would be good to have input and output of both codes in plain text, if possible @louisponet.