From 6a0b46a22d4efdadaf1f6a9decf4eaa19bb4392e Mon Sep 17 00:00:00 2001
From: "f.grunewald" <f.grunewald@rug.nl>
Date: Tue, 27 Jun 2023 18:42:12 +0200
Subject: [PATCH] add scipy 1.11 patch

---
 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 eb953c75..51dbf205 100644
--- a/polyply/src/minimizer.py
+++ b/polyply/src/minimizer.py
@@ -166,7 +166,7 @@ def optimize_geometry(block, coords, inter_types=[], tolerance={"angles": 5,
     """
     n_atoms = len(coords)
     atom_to_idx = OrderedDict(zip(list(coords.keys()), range(0, n_atoms)))
-    positions = np.array(list(coords.values()))
+    positions = np.ravel(np.array(list(coords.values())))
 
     def target_function(positions):
         energy = 0