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The output file also lists all the files in the scratch space at the end of the calculation. I'm unsure of if there's a keyword I'm missing. I can't seem to find anything in the documentation.
Thanks!
The text was updated successfully, but these errors were encountered:
This seems like something that needs to be handled on the Orca side rather than in xtb. For Orca to printout the xtb computed dipole moment, there needs to be an Orca xtb interface for this in the first place. To the best of my knowledge this does not exist in Orca yet.
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Nov 2, 2024
I'm using xtb2 through ORCA 5.0. I can't get the dipole moment to print in the output file. It is not located in any of the scratch files either.
My input and output file are attached.
xtb2_input.txt
xtb2_output.txt
The output file also lists all the files in the scratch space at the end of the calculation. I'm unsure of if there's a keyword I'm missing. I can't seem to find anything in the documentation.
Thanks!
The text was updated successfully, but these errors were encountered: