aiida-common-workflows
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Implement CommonBandsWorkChain for FLEUR
Adds the FleurCommonBandsWorkChain and input generator.
One note:
- I noticed while testing, that the
engines
input cannot be omitted as theget_builder()
method will raise an error thatengines.bands.code
is missing. But the implementations I used as a reference seem to handle this case at least partially. Is this wanted behaviour?
@bosonie @sphuber I, unfortunately, cannot request a review directly so I'm pinging here. I think to request a review I also need to be approved first.