Generalization of MD workflow results
The workflow results (e.g., rdf/msd) are currently calculated in each atomistic parser from the MDA instances created from the corresponding raw files. These calculations should be moved to the normalization step and be computed from a (generalized) MDA instance created directly from the nomad metainfo.
nb - as a side effect, we should store the references to each molecule / molecule group for these observables using the topology structure with the results section.