TheoChem-VU / TCutility

Utility functions/classes for the TheoCheM programs
https://theochem-vu.github.io/TCutility/
MIT License
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CRESTJob skipping not properly implemented #251

Open YHordijk opened 6 months ago

YHordijk commented 6 months ago

Currently the CRESTJob will always rerun when it is created because we are not correctly checking if it is finished or not. This is causing some issues when rerunning workflows (i.e. wasted compute, inconsistent results, etc.). We should finally implement a method to check completion.