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Handle no input coordinates in Gaussian log file #61

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kjelljorner wants to merge 1 commit into main from kjelljorner/issue53

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kjelljorner commented Jun 18, 2023 •

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Handles the situation where no input coordinates are present in the Gaussian log file read by LocalForce.

@rlaplaza, I think this fixes #53 by implanting what you suggested:

Setting input coordinates = standard coordinates when input coordinates are missing
Updating the conditional for the rotation of the input coordinates


          Handle no input coordinates

94f0352

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