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Change internal fixed-point API to (x, info) = f(x, info) to simplify SCF metadata tracking #811
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Since there are conflicts against master the CI will not run. @epolack @niklasschmitz You must first resolve the conflicts and/or rebase. |
@mfherbst, thanks. |
If you want to continue the development I'd say that's the simplest. You can already get an idea what's the issue right now from https://git.uni-paderborn.de/herbstm/DFTK.jl/-/jobs/123457 by the way. |
Reopening now after pulling, let's see what the CI says |
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Very nice. Has the potential for quite some simplifications (e.g. unifying SCF routines in density and potential).
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Main blocker for me is the thing with the MPI tests. Might be due to the removed broadcast.
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Nits on the docs.
…ency with `converged`
PR from @niklasschmitz. Will fix the tests when CI completes.