fix update input_structure settings

mikibonacci · Dec 6, 2024 · f901d8d · f901d8d
1 parent ea4f2eb
commit f901d8d
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/aiidalab_qe_vibroscopy/app/model.py b/src/aiidalab_qe_vibroscopy/app/model.py
@@ -111,7 +111,7 @@ def set_model_state(self, parameters: dict):
     def reset(self):
         with self.hold_trait_notifications():
             self.simulation_type = 1
-            self.symmetry_symprec = 1e-5
+            self.symmetry_symprec = self._get_default("symmetry_symprec")
             self.supercell = [2, 2, 2]
             self.supercell_x, self.supercell_y, self.supercell_z = self.supercell
             self.supercell_number_estimator = self._get_default(
@@ -124,7 +124,7 @@ def _get_default(self, trait):
     def on_input_structure_change(self, _=None):
         if not self.input_structure:
             self.reset()
-
+            
         else:
             self.disable_x, self.disable_y, self.disable_z = True, True, True
             pbc = self.input_structure.pbc

diff --git a/src/aiidalab_qe_vibroscopy/app/settings.py b/src/aiidalab_qe_vibroscopy/app/settings.py
@@ -261,7 +261,7 @@ def render(self):
         ]
 
         self.rendered = True
-        self._on_change_simulation_type({"new": 0})
+        self._on_change_simulation_type({"new": 1})
 
     def _on_input_structure_change(self, _):
         self.refresh(specific="structure")