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popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
9 stars 10 forks source link

Error when submitting jobs #18

Closed m-julian closed 4 years ago

m-julian commented 4 years ago

https://github.com/popelier-group/ICHOR/blob/8ce5ae2ef856426a8adfa77b9d3bc7c3d619ac9c/ICHOR.py#L1477

ICHOR_bug.txt

DATAFILE directory is empty, so it can't read the datafiles that are supposed to be in it?

Don't know if this is a problem but jid file only contains a few job ids

ICHOR_bug