> However, a collaborator sent us source code that for some version of obabel > that actually reads the output
Patches are always welcome. :-) > The issue at this point is that it fails to read the charge data of the > molecule correctly IF the log file contains hessian data where there are > imaginary frequencies. I've never heard of that bug, and I don't see it on GitHub. Bug reports are also welcome. :-) Thanks, -Geoff
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