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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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enable slurm for Bridges2 #35

Closed WinstonGee closed 4 months ago

WinstonGee commented 4 months ago

add option to input path to remote directory for autoqchem to work with other slurm machines