QC output files are read twice into the same OBMol

Development
1

QC output files are read twice into the same OBMol. It seems to to be very effective (escpecially for long GAMESS outputs)

Regards,
Konstantin

2

QC output files are read twice into the same OBMol. It seems to to be very effective (escpecially for long GAMESS outputs)

Yes, there’s clearly an optimization in MoleculeFile – particularly for these one-molecule data files. We should save the first molecule read, which would prevent the need to re-read the file.

-Geoff