From bf0a8c71fbab89a54516a9ea4a66dc0f988c57cb Mon Sep 17 00:00:00 2001
From: Chris Brasnett <35073246+csbrasnett@users.noreply.github.com>
Date: Mon, 22 Apr 2024 09:32:51 +0100
Subject: [PATCH] fixed minimization

---
 polyply/src/minimizer.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/polyply/src/minimizer.py b/polyply/src/minimizer.py
index 40be28d0..bc3948bb 100644
--- a/polyply/src/minimizer.py
+++ b/polyply/src/minimizer.py
@@ -183,7 +183,7 @@ def target_function(positions):
                 energy += new
         return energy
 
-    opt_results = scipy.optimize.minimize(target_function,
+    opt_results = scipy.optimize.minimize(target_function, positions,
                                           method='L-BFGS-B',
                                           options={'ftol': 0.001, 'maxiter': 100})