remove duplicate lines raising error

I think I added these in accidentally, I got the same error and omitting them fixed it
ReactionMechanismGenerator · Feb 6, 2024 · 99fc9f3 · 99fc9f3
1 parent 3ec4a0a
commit 99fc9f3
Showing 1 changed file with 0 additions and 6 deletions.
diff --git a/arkane/ess/gaussian.py b/arkane/ess/gaussian.py
@@ -375,12 +375,6 @@ def load_energy(self, zpe_scale_factor=1.):
                             elect_energy_source = 'HF'
                     except ValueError:
                         pass
-                elif 'Energy=' in line:
-                    # for xtb
-                    e_elect = float(line.split()[1]) * constants.E_h * constants.Na
-                elif 'Energy=' in line:
-                    # for xtb
-                    e_elect = float(line.split()[1]) * constants.E_h * constants.Na
                 # Read the next line in the file
                 line = f.readline()