corrected do_block_analsysis to return uncertainty

espressomd · Oct 31, 2021 · 572ed3f · 572ed3f
1 parent dcc5054
commit 572ed3f
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/src/python/espressomd/reaction_ensemble.pyx b/src/python/espressomd/reaction_ensemble.pyx
@@ -652,7 +652,7 @@ cdef class WidomInsertion(ReactionAlgorithm):
             """
             Performs a binning analysis of samples. 
             Divides the samples in ``N_blocks`` equispaced blocks
-            and returns the mean and the standard deviation between the blocks
+            and returns the mean and its uncertainty
             """
             size_block = int(len(samples) / N_blocks)
             block_list = []
@@ -663,8 +663,9 @@ cdef class WidomInsertion(ReactionAlgorithm):
 
             sample_mean = np.mean(block_list)
             sample_std = np.std(block_list, ddof=1)
+            sample_uncertainty = sample_std / np.sqrt(N_blocks)
 
-            return sample_mean, sample_std
+            return sample_mean, sample_uncertainty
 
         gamma_samples = np.exp(-1.0 * np.array(
             particle_insertion_potential_energy_samples) / self._params["kT"])