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I've tested this out so far and it seems really nice. It will definitely make it easier to integrate the code since you don't need to manage the convergence criteria yourself. The following steps will need to be taken:
Add the option to the solver parameters.
Implement for SP2. This is the easiest because the pseudocode is right the in the manuscript.
Implement for Scale and Fold. This is also in the manuscript, but is maybe more tricky.
Derive criteria for the other solvers. Write a Wiki page with this info.
Implement for the other solvers.
The text was updated successfully, but these errors were encountered:
While I suspect the method of Kruchinina is surely superior for specific cases, the automatic convergence monitoring of #218 seems good enough and can be added to any solver without technical work. So for now this is closed, but worth revisiting someday.
https://pubs.acs.org/doi/full/10.1021/acs.jctc.6b00626
I've tested this out so far and it seems really nice. It will definitely make it easier to integrate the code since you don't need to manage the convergence criteria yourself. The following steps will need to be taken:
The text was updated successfully, but these errors were encountered: