added reference to extra dict produced from WE update

jkalayan · jkalayan · commit 2a0edbf1ae17 · 2025-08-13T18:50:32.000+01:00
diff --git a/CodeEntropy/entropy.py b/CodeEntropy/entropy.py
@@ -404,7 +404,7 @@ def _calculate_water_entropy(self, universe, start, end, step):
             end (int): End frame.
             step (int): Step size.
         """
-        Sorient_dict, _, vibrations, _ = (
+        Sorient_dict, _, vibrations, _, _ = (
             GetSolvent.get_interfacial_water_orient_entropy(
                 universe, start, end, step, self._args.temperature, parallel=True
             )

Original file line number	Diff line number	Diff line change
`@@ -404,7 +404,7 @@ def _calculate_water_entropy(self, universe, start, end, step):`
`404`	`404`	`end (int): End frame.`
`405`	`405`	`step (int): Step size.`
`406`	`406`	`"""`
`407`		`- Sorient_dict, _, vibrations, _ = (`
	`407`	`+ Sorient_dict, _, vibrations, _, _ = (`
`408`	`408`	`GetSolvent.get_interfacial_water_orient_entropy(`
`409`	`409`	`universe, start, end, step, self._args.temperature, parallel=True`
`410`	`410`	`)`