Minor fixes to the pseudopotential code
Description
Minor fixes for the splines:
- Properly treat the underflows
- Properly perform the Fourier transform depending on the l value and with the correct cutoff
- Fixes a formating problem when printing splines with value below 1e-99 which was producing an output like 1.XXX-100 instead of 1.XXXE-100.
Correctly treating GSL interface using iso_c_binding.
Copy the full range of HGH projectors before fitting by a spline.
Add some OpenMP support.
News snippet
Small code improvements
Checklist
-
I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.