Change method for loading energies from Gaussian log files to regex search to avoid errors #2595
Commits on Jun 7, 2024
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remove duplicate lines raising error
I think I added these in accidentally, I got the same error and omitting them fixed it
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Apply suggestions from code review
en-pretty-fy whitespace Co-authored-by: Hao-Wei Pang <45482070+hwpang@users.noreply.github.com>
Commits on Jun 9, 2024
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pass the token through with the correct variable name
that's what i get for copy-pasting from the README
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