You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
File "/home/cmja2/anaconda3/lib/python3.11/site-packages/stko/_internal/calculators/orca_calculators.py", line 202, in _check_outcome
if "****ORCA TERMINATED NORMALLY****" not in lines[-2]:
~~~~~^^^^
IndexError: list index out of range
I think that maybe orca itself was at fault and I ran the orca input indendently which was successful. When using stko, the output file is there but is empty. This would mean there is no line -2. could it be that stko is not waiting for the orca run to finish before looking at line -2? The error with orca does happen almost immediately whilst the orca calculation itself takes around a couple of minutes.
The text was updated successfully, but these errors were encountered:
when using the below code:
this error occurs:
I think that maybe orca itself was at fault and I ran the orca input indendently which was successful. When using stko, the output file is there but is empty. This would mean there is no line -2. could it be that stko is not waiting for the orca run to finish before looking at line -2? The error with orca does happen almost immediately whilst the orca calculation itself takes around a couple of minutes.
The text was updated successfully, but these errors were encountered: