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doyle-lab-ucla / auto-qchem

Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
https://doyle-lab-ucla.github.io/auto-qchem/
GNU General Public License v3.0
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Known bug for v1.2.6 #23

Open beef-broccoli opened 1 year ago

beef-broccoli commented 1 year ago

bad port number for db connection; change to int. Did not fix because the transition to Python 3.8 and auto-qchem 1.3.1, but in case older versions are needed this will need to be addressed at helper_classes.py