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Notebook edits #36

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Merged
jhenin merged 2 commits into from
Jun 29, 2023
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Notebook edits #36

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312a881
fixed typo that broke parsing
EzryStIago Jun 28, 2023
6525624
Merge pull request #35 from jhenin/main
EzryStIago Jun 28, 2023
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2 changes: 1 addition & 1 deletion SAFEP_Tutorial_Notebook.ipynb
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Expand Up @@ -201,7 +201,7 @@
"#Caution: if you have multiple fepout files, name them alphanumerically\n",
"\n",
"fepoutFiles = glob(bound_fep_path+filename) #Resolve any naming regular expressions\n",
"u_nk = safep.read_and_process(fepoutFiles, temperature, detectEQ=detectEQ) #u_nk stores the fep data\n",
"u_nk = safep.read_and_process(fepoutFiles, temperature, decorrelate=None, detectEQ=detectEQ) #u_nk stores the fep data\n",
"perWindow, cumulative = safep.do_estimation(u_nk) #Run the BAR estimator on the fep data\n",
"forward, forward_error, backward, backward_error = safep.do_convergence(u_nk) #Used later in the convergence plot\n",
"\n",
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