bug fix in spring constant convergence

ICAMS · Sep 12, 2023 · 3277078 · 3277078
1 parent fcfb4ae
commit 3277078
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/calphy/solid.py b/calphy/solid.py
@@ -81,7 +81,7 @@ def run_iterative_spring_constant_convergence(self, lmp):
                     #now reevaluate spring constants
                     self.assign_spring_constants(k_mean)                    
                     break
-                laststd = k_std
+                laststd = k_std[0]
 
         else:
             if not (len(self.calc.spring_constants) == self.calc.n_elements):