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Fix broken call to alchemlyb
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schlaicha committed Nov 6, 2020
1 parent b3e66c5 commit d627c39
Showing 1 changed file with 1 addition and 4 deletions.
5 changes: 1 addition & 4 deletions uncorrelate/statistical_inefficiency_dhdl.py
Original file line number Diff line number Diff line change
Expand Up @@ -51,10 +51,7 @@ def uncorrelate(self, dfs, lower):

uncorrelated_dfs = []
for dhdl_, l, df in zip(self.dhdls, dl, dfs):
ind = np.array(l, dtype=bool)
ind = np.array(ind, dtype=int)
dhdl_sum = dhdl_.dot(ind)
uncorrelated_dfs.append(alchemlyb.preprocessing.statistical_inefficiency(df, dhdl_sum, lower, conservative=False))
uncorrelated_dfs.append(alchemlyb.preprocessing.statistical_inefficiency(df, lower=lower))

return pandas.concat(uncorrelated_dfs)

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