Surface errors and warnings from ORCA output

ispg-group / aiidalab-ispg

ATMOSPEC: ab initio UV/vis spectroscopy for everyone

MIT License

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Surface errors and warnings from ORCA output #219

Open danielhollas opened 1 year ago

danielhollas commented 1 year ago

Also, when ORCA jobs fail, we should show a button to directly download the ORCA output file (so that the user does not need to click through the workflow tree)