Reset index in clusters df

molmd · Mar 4, 2024 · b47ccda · b47ccda
1 parent 252b6a9
commit b47ccda
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/mdproptools/structural/cluster_analysis.py b/mdproptools/structural/cluster_analysis.py
@@ -450,7 +450,7 @@ def get_unique_configurations(
                 "configurations"
             )
         merge_cols = [i for i in list(df.columns) if i.startswith("atoms_")]
-        df = df.sort_values("cluster")
+        df = df.sort_values("cluster").reset_index(drop=True)
         top_config = top_config.merge(
             df[["cluster"] + merge_cols], on=merge_cols
         ).drop_duplicates(merge_cols)