Fix: Update FLEUR energy extraction #340
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Hello and thanks! |
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Hi @bosonie good point! It hasn't been released, yet. It just came up during our new collaboration. I'll keep this open as long as the changes are only available on the |
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The name of the
energyoutput was changed inaiida-fleur(JuDFTteam/aiida-fleur@32c3cef). Adapting theget_total_energyfor FLEUR to fix this issue.