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Generate a different derivatives.py file #317

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hccc317 opened this issue Dec 18, 2024 · 1 comment
Open

Generate a different derivatives.py file #317

hccc317 opened this issue Dec 18, 2024 · 1 comment

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@hccc317
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hccc317 commented Dec 18, 2024

Hello, when I generated a new derivatives.py via pysisyphus/pysisyphus/intcoords/generate_derivatives.py myself, I got a different file from pysisyphus/pysisyphus/intcoords/derivatives.py. The different content is attached. It is unknown whether these differences would affect the results.
diff.txt

@hccc317
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hccc317 commented Dec 18, 2024

Sorry for that I have tested the output of the same functions in both files and the results are the same, amazing.

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