Commit 3ce8b56a authored by Benjamin  BARDIAUX's avatar Benjamin BARDIAUX

update clustering settings before restarts

parent e6d337e6
......@@ -868,6 +868,7 @@ class Protocol(AriaBaseClass):
# Do clustering if enabled for the current iteration
if it_settings['clustering_settings']['enabled'] == 'yes':
self._updateIterationSettings(iteration)
ensemble = self.doClustering(iteration, molecule, ensemble)
iteration.setStructureEnsemble(ensemble)
......@@ -2139,9 +2140,10 @@ class Protocol(AriaBaseClass):
se_settings.update(it_settings)
ensemble.settingsChanged()
# Do clustering if enabled for the current iteration
if it_settings['clustering_settings']['enabled'] == 'yes':
self._updateIterationSettings(iteration)
ensemble = self.doClustering(iteration, molecule, ensemble)
iteration.setStructureEnsemble(ensemble)
......
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