diff --git a/CHANGES b/CHANGES index d5448275..98638667 100644 --- a/CHANGES +++ b/CHANGES @@ -15,6 +15,24 @@ The rules for this file: ------------------------------------------------------------------------------ +??/??/2020 wehs7661, dotsdl + +* 0.?.? + +Enhancements + +Deprecations + +Fixes + - removed redundant statistical inefficiency calculation in + `alchemlyb.preprocessing.subsampling.equilibrium_detection` + + +Changes + + + + 01/16/2020 dotsdl, orbeckst * 0.3.1 diff --git a/src/alchemlyb/preprocessing/subsampling.py b/src/alchemlyb/preprocessing/subsampling.py index 1791f053..0b1a91a1 100644 --- a/src/alchemlyb/preprocessing/subsampling.py +++ b/src/alchemlyb/preprocessing/subsampling.py @@ -186,9 +186,6 @@ def equilibrium_detection(df, series=None, lower=None, upper=None, step=None): if series is not None: series = slicing(series, lower=lower, upper=upper, step=step) - # calculate statistical inefficiency of series - statinef = statisticalInefficiency(series) - # calculate statistical inefficiency of series, with equilibrium detection t, statinef, Neff_max = detectEquilibration(series.values)