[gpaw-users] Manipulating the SCF Loop

[Tristan Maxson]

I have been doing some work which requires actively manipulating the SCF
loop between iterations and encountered a problem where the loop may end
before I desire it to.

I am looking for some sort of "miniter" or a method of forcing another
iteration of the SCF loop from an attached observer that does not require
modifying the source if at all possible.  I need the calculation to
continue as if the convergence was not reached in that iteration.
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