Return full list of conf

ReactionMechanismGenerator · Nov 20, 2024 · b2579c9 · b2579c9
1 parent 1afc4d5
commit b2579c9
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/species/conformers.py b/arc/species/conformers.py
@@ -304,7 +304,7 @@ def generate_conformers(mol_list: Union[List[Molecule], Molecule],
     if not return_all_conformers:
         return lowest_confs, hypothetical_num_comb, len(torsions), number_of_heavy_atoms
     else:
-        return lowest_confs, new_conformers, hypothetical_num_comb, len(torsions), number_of_heavy_atoms
+        return lowest_confs, conformers + new_conformers, hypothetical_num_comb, len(torsions), number_of_heavy_atoms
 
 
 def deduce_new_conformers(label, conformers, torsions, tops, mol_list, smeared_scan_res=None, plot_path=None,