Patrick Seewald

It seems that the subgrids initialized by `dbcsr_mp_grid_setup` are only used together with Arnoldi, so it makes sense that dbcsr_mp_grid_setup needs to be called in addition to dbcsr_mp_new if one...

@gnikit thanks a lot for reaching out. I have to say, I'm really impressed by the Fortran-lang community and its projects, and for sure I'd appreciate a collaboration. In the...

What CI service do you typically use @fortran-lang? I relied on Travis CI in the past, but this is no longer available for free. If we plan to move this...

>@pseewald , does CP2K utilize CCA convention for Cartesian and solid harmonic Gaussians? Yes, CP2K uses the default ordering.

I'd advice against passing the entire file to formatters since many formatters split lines or remove empty lines, then it's not easily possible to recover the section of interest after...

@wpbonelli Thanks a lot for your work. Unfortunately, pr's have been open for a while in this repo because I haven't found any time to spend on this project. But...

@gnikit @awvwgk would you still be interested in helping me moving this repo to @fortran-lang? If so, please let me know what steps I need to do to. I have...

> I don't think its related to the directives directly. it is just that when you find a subroutine/module opening you indent afterwards. I confirm. > we would need to...

I'm currently revamping the testing mechanism (see #140) because I think it's not maintainable in the current state. I'll switch to pytest after some more cleanup work if it's reasonably...

Sorry for the late reply. These exceptions are expected failures, see output at the bottom: ``` IGNORED errors: invalid or old Fortran ---------------------------------------------------------------------- parse errors: 4 internal errors: 13 ```...