-
Notifications
You must be signed in to change notification settings - Fork 46
Closed
Description
Currently there exists indicates_convergence as a static way to a stopping criterion whether it has the possibility to report convergence (i.e. a maxiter does not, a tolerance on the gradient does).
This could be enhanced by a second (dynamic) variant, m<ybe called has_converged that would be more parallel to get_reason, that is it would
- for single criteria report
trueif theyindicate_convergenceand is “active” that (have a reason that is not empty) - for
Any(|) it would check whether one of its “active” criteria is a criterion that indicates convergence - for
All(&) it would check whether all of its criteria are “active” and at least one indicates convergence.
This came up as a feature idea in JuliaMolSim/DFTK.jl#1105
mateuszbaran