From 3277078741383bf9864380bb144dd0b86c9c5dc5 Mon Sep 17 00:00:00 2001
From: Sarath Menon <sarathmenon@mailbox.org>
Date: Tue, 12 Sep 2023 11:40:58 +0200
Subject: [PATCH] bug fix in spring constant convergence

---
 calphy/solid.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/calphy/solid.py b/calphy/solid.py
index c2636bf..3d0ebcc 100644
--- 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):