Semicore occupations
Description
The occupations of some semicore states was not set by the done, resulting in a zero atomic density for the LCAO. This is now fixed by this merge request.
News snippet
Bugfix for the LCAO with HGH semicore pseudopotentials.
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.