Closed GilAlexander closed 5 years ago
There is an additional column since the latest ORCA release, so there are 3 columns now and the energies are in the third one (not in the second). So 33 and 45 lines should be like this: energy.append( float(listi[index][2]) )
energy.append( float(listi[index][2]) )
Thank you for pointing this out GilAlexander! I have fixed this and updated the tool.
There is an additional column since the latest ORCA release, so there are 3 columns now and the energies are in the third one (not in the second). So 33 and 45 lines should be like this:
energy.append( float(listi[index][2]) )