[BUG] Why is the Radius of gyration calculated using the Eccentricity job not the same as the one from the RadiusOfGyration job?

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MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments

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[BUG] Why is the Radius of gyration calculated using the Eccentricity job not the same as the one from the RadiusOfGyration job? #380

Open ChiCheng45 opened 5 months ago

ChiCheng45 commented 5 months ago

Description of the error The ROG calculated in the Eccentricity job is different to the one calculated in the RadiusOfGyration job. Is this expected? I would've expected them to be the same.

Additional details ROG from eccentrictiy job

ROG from RadiusOfGyration Job