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SelfConsistentHubbardWorkChain: Relabeling of HubbardStructure if relaxations are skipped #63

Merged
merged 3 commits into from
Apr 11, 2024
Merged

SelfConsistentHubbardWorkChain: Relabeling of HubbardStructure if relaxations are skipped #63

merged 3 commits into from
Apr 11, 2024

Commits on Feb 13, 2024

  1. SelfConsistentHubbardWorkChain: Relabeling of HubbardStructure. 

    The `current_hubbard_structure` is not relabeled in `SelfConsistentHubbardWorkChain` if `skip_relax_iterations != 0`.
This can cause problems in the subsequent `PwRelaxWorkChains` if new types are introduced.
Therefore, the relabeling step is moved to a separate method that is called in any case.
    @t-reents
    t-reents committed Feb 13, 2024
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  2. Simplify reporting messages. 

    Co-authored-by: Lorenzo <[email protected]>
    @t-reents @bastonero
    t-reents and bastonero committed Feb 13, 2024
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  3. Merge branch 'master' into fix/61_relabeling_when_skip_relax

    @t-reents
    t-reents committed Feb 13, 2024
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