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Semicore occupations

Nicolas Tancogne-Dejean requested to merge semicore_occupations into develop

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.

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