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Minor DFT+U bugfix

Nicolas Tancogne-Dejeanrequested to merge
fix_dft_u into hotfix-16.3

Description

In some cases the code was inconsistent, leading to some memory errors. This should fix the problem, even if the logic is unfortunately complexified...

Closes #577 (closed)

News snippet

Minor DFT+U bugfix.

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.
Edited by Nicolas Tancogne-Dejean

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