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DFT+U restart energy

Description

When restarting a DFT+U calculation, the code now recomputes the DFT+U energy at the same time as the potential.

News snippet

When restarting a DFT+U calculation, the code now recomputes the DFT+U energy at the same time as the potential.

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 Martin Lueders

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