From 9398b39de27c1bfc01bbefce9374fee0a37d0338 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 9 Apr 2024 14:04:15 -0400 Subject: [PATCH] remove a line that might be important for clustering --- ConservedWaterSearch/water_clustering.py | 1 - 1 file changed, 1 deletion(-) diff --git a/ConservedWaterSearch/water_clustering.py b/ConservedWaterSearch/water_clustering.py index faf18ac..cf72d5b 100644 --- a/ConservedWaterSearch/water_clustering.py +++ b/ConservedWaterSearch/water_clustering.py @@ -857,7 +857,6 @@ def _scan_clustering_params( self._add_water_solutions(waters) if self.restart_data_file is not None: self._save_intermediate_data(Odata, H1, H2) - i = i - 1 break if (found and self.restart_after_find) or len(Odata) < self.nsnaps: break