Bring find_occupation to SCF interface #291
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Hm, not great to have yet another option here. We should really have named tuples for these eventually. Also find_occupation refers to two things, which is a bit confusing... maybe find_occupation_function? |
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Yes I wanted to avoid that, too, but it turns out you need it from time to time. I'm not sure what you mean by "Refers to two things". |
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The function and the variable |
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All right. I went the other way round and renamed the function instead. It's definitely a bit messy right now. We have quite some functions / functors which influence behaviour inside the SCF. Would be good to soon do a refactoring pass and unify names and interfaces there. |
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