Fix parameter passing

ReactionMechanismGenerator · Dec 22, 2024 · 22ffb04 · 22ffb04
1 parent ed4b9c7
commit 22ffb04
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/job/adapters/ts/heuristics.py b/arc/job/adapters/ts/heuristics.py
@@ -1109,7 +1109,7 @@ def crest_ts_conformer_search(xyz_guess: dict, a_atom: int, h_atom: int, b_atom:
     # Write coords to coords.ref file
     symbols = xyz_guess['symbols']
 
-    converted_coords = str_to_str(xyz_str=xyz_guess['coords'], reverse_atoms=True, convert_to="bohr")
+    converted_coords = str_to_str(xyz_str=xyz_to_str(xyz_guess), reverse_atoms=True, convert_to="bohr")
     coords_ref_content = f"$coord\n{converted_coords}\n$end\n"
     coords_ref_path = os.path.join(path, 'coords.ref')