Skip to content

Fixes the index for getting the principal quantum number in all-electron calculations.

Nicolas Tancogne-Dejean requested to merge fix_lcao_all_electrons into main

Description

Fixes the index for getting the principal quantum number in all-electron calculations.

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.

Merge request reports