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Fix Simpson Integration Issues #51

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xhgchen opened this issue Jul 7, 2024 · 0 comments
Open

Fix Simpson Integration Issues #51

xhgchen opened this issue Jul 7, 2024 · 0 comments

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@xhgchen
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xhgchen commented Jul 7, 2024

integrate.simpson is causing the entire CI to fail as it no longer accepts 2 args like before: https://github.com/MDAnalysis/transport-analysis/actions/runs/9822946196/job/27120223784

This needs to be fixed so that the self-diffusivity calculation using Simpson's rule continues to work.
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