David Bowler

Closed by #366

I want to think about this change some more, and discuss it with @tsuyoshi38 before we approve it

I don't understand why `XC_COMPFLAGS` is needed to compile this module: all it sets is some include paths which aren't needed for `pseudo_tm_info.f90`. What was the compilation error?

As far as I can tell, this is not an issue any more; closing.

We should also maybe make the compilation/build instructions clearer

Fixed by #370

Actually I think that this requires considerable care: we would need to introduce a way to annotate coordinate files with the units they are in, which would in turn require...

I agree that we should release version 1.2 first so for now please don't try to merge this into develop.

This is a good point. We could easily merge the two and add a flag to select PAO value or gradient to choose whether to call `evaluate_pao` or `pao_elem_derivative_2` (though...

I wonder if it's not easier to just use an abstract interface and pass the required subroutine as an argument, as described in [this thread](https://stackoverflow.com/questions/32809769/how-to-pass-subroutine-names-as-arguments-in-fortran)