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path: root/lib/paramfit.py
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2024-01-17paramfit: use sum(ssr) rather than mean(rmsd) for best-fit selectionBirte Kristina Friesel-9/+21
2024-01-17_try_fits: remove unused results_by_paramBirte Kristina Friesel-10/+0
2023-12-14paramfit: Introduce DFATOOL_ULS_ERROR_METRIC for non-rmsd function selectionBirte Kristina Friesel-28/+30
2023-12-14_try_fits: make seen_parameter_combinations access more explicitBirte Kristina Friesel-3/+6
2022-04-26debug output improvementsDaniel Friesel-1/+1
2021-11-22handle fit errors in cross validationDaniel Friesel-3/+9
2021-08-31docsDaniel Friesel-1/+5
2021-08-19ParallelParamFit -> ParamFit, optionally without parallelismDaniel Friesel-6/+10
2021-03-17always handle co-dependent parametersDaniel Friesel-4/+4
2021-03-02Move ParallelParamFit to a separate moduleDaniel Friesel-0/+261