The weight setting in the eccentricity job seems to replace the mass in the moment of inertia calculation with the weight setting value so that it might not be a moment of inertia anymore. It also means that the weighting procedure does not follow what is stated in the documentation. Additionally no weighting is applied to the radius of gyration calculation.
Suggested fix
Remove the weight setting and change the moment of inertia so that it uses the atomic weight not the weight setting value.
Additional details
Here is an example where I set the weight setting to charge. The moment of inertia is zero and additionally the units are wrong in the plot.
The weight setting in the eccentricity job seems to replace the mass in the moment of inertia calculation with the weight setting value so that it might not be a moment of inertia anymore. It also means that the weighting procedure does not follow what is stated in the documentation. Additionally no weighting is applied to the radius of gyration calculation.
Suggested fix Remove the weight setting and change the moment of inertia so that it uses the atomic weight not the weight setting value.
Additional details Here is an example where I set the weight setting to charge. The moment of inertia is zero and additionally the units are wrong in the plot.![image](https://github.com/ISISNeutronMuon/MDANSE/assets/14276033/ab620694-b886-4305-8bfd-fa416169dca3)