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ss0832 · Mar 3, 2025 · de88d4f · de88d4f
1 parent fbffdd3
commit de88d4f
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/biaspotpy/optimizer.py b/biaspotpy/optimizer.py
@@ -259,8 +259,8 @@ def switch_move_vector(self,
         B_g,
         move_vector_list,
         method_list=None,
-        max_rms_force_switching_threshold=0.5,
-        min_rms_force_switching_threshold=0.1,
+        max_rms_force_switching_threshold=0.05,
+        min_rms_force_switching_threshold=0.005,
         steepness=10.0,
         offset=0.5):
 
@@ -409,8 +409,8 @@ def calc_move_vector(self, iter, geom_num_list, B_g, pre_B_g, pre_geom, B_e, pre
         move_vector, optimizer_instances = self.switch_move_vector(B_g,
         move_vector_list,
         optimizer_instances,
-        max_rms_force_switching_threshold=0.5,
-        min_rms_force_switching_threshold=0.1
+        max_rms_force_switching_threshold=0.05,
+        min_rms_force_switching_threshold=0.005
         )
 
         print("==================================================================================")