Tiziano Müller

will be able to provide the files in the evening or on the weekend, until then, I've generated the basis with: `atom --symbol=C` and then tried the same input once...

basically trying to reproduce the exciting run from here: https://nomad-lab.eu/prod/rae/gui/entry/id/hyn062OhTxuVIXHALACrgg/Qh4POC5Q8Zea_gDgBIG9rcd03xhR/raw, now trying with a basis generated with `atom --symbol=C --core=1.1`. Also, there seems to be some stability issues when it...

ok, so far it seems independent of the RMT, but as soon as the GK_CUTOFF is larger than ~7 convergence becomes difficult

I'm seeing the same ICE with gfortran-7.3.1 (and FoX 4.0.3): ``` gfortran -c fox_m_fsys_format.F90 fox_m_fsys_format.F90:1289:0: if (.not.checkFmt(fmt)) then internal compiler error: Segmentation fault Please submit a full bug report, with...

well, the warning might be something we should also take care of, but yes, the error should be solved in the latest HEAD

@boegel Sorry, by "we" I meant we as in "the community of ScaLAPACK users", I am not a ScaLAPACK developer with the power to make a release. But there seem...

It seems that there is no Doxygen to FORD converter atm. The simple documentation entries (single `\brief`) can be easily converted: ```bash # remove empty doxygen params and tags with...

the PoC can be found here: https://github.com/dev-zero/dbcsr/tree/feature/convert-to-ford Run with: ``` ford project-file.md ``` `fypp` and `cpp` must be in your `$PATH`.

Doxygen comment blocks are interpreted as descriptions for the entire function and the `\brief`, `\param` tags are ignored as expected. Generating dependency graphs works too, but takes 5-10 minutes.

As per discussion: * switching to FORD means removing `doxify` and the part of prettify which does dummy argument reordering and grouping since it interferes with FORD's documentation of arguments...