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Hello — thanks for sharing this tool. I was just wondering how the generation of ORCA input files can be specified during the submit stage of the workflow? I’ve dug around quite a bit but haven’t yet been able to figure out how this is intended to be done.
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Hello — thanks for sharing this tool. I was just wondering how the generation of ORCA input files can be specified during the submit stage of the workflow? I’ve dug around quite a bit but haven’t yet been able to figure out how this is intended to be done.
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