f! plotter

ReactionMechanismGenerator · Oct 11, 2023 · fbf4f1c · fbf4f1c
1 parent 9bb63ef
commit fbf4f1c
Showing 1 changed file with 5 additions and 4 deletions.
diff --git a/arc/plotter.py b/arc/plotter.py
@@ -951,10 +951,11 @@ def save_conformers_file(project_directory: str,
                 if im_freqs is not None and im_freqs[i] is not None:
                     content += f'Imaginary frequencies: {im_freqs[i]}\n'
                 if min_e is not None:
-                    if energies[i] == min_e:
-                        content += 'Relative Energy: 0 kJ/mol (lowest)'
-                    elif energies[i] is not None:
-                        content += f'Relative Energy: {energies[i] - min_e:9.3f} kJ/mol'
+                    if energies is not None and i < len(energies):
+                        if energies[i] == min_e:
+                            content += 'Relative Energy: 0 kJ/mol (lowest)'
+                        elif energies[i] is not None:
+                            content += f'Relative Energy: {energies[i] - min_e:9.3f} kJ/mol'
             else:
                 # Failed to converge
                 if is_ts and ts_methods is not None: