Optimized predictive mixing - #114
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…nverged the prediction is garbage sometimes
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Pulay and Anderson mixing do not work nicely when continuing on well-converged previous high-temperature results. The prediction that was previously built from the last n iterations of the higher-T data was not looking good.
Now, the code reads only the last sigma from the old iteration, does n_hist linear steps and then starts with the predictive mixing schemes.