Remove charge as kwarg

pnnl · May 1, 2024 · 2a539e8 · 2a539e8
1 parent e4a6bd2
commit 2a539e8
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/isicle/qm.py b/isicle/qm.py
@@ -713,7 +713,7 @@ def configure(self, tasks='energy', functional='b3lyp',
                                          mem_stack=mem_stack)
 
         # Load geometry
-        config += self._configure_load(charge=self.geom.get_charge())
+        config += self._configure_load()
 
         # Configure tasks
         for task, f, b, a, c, so in zip(tasks, cycle(functional), cycle(basis_set),