refactor: AtomType work up - #2219
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trisyoungs
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August 13, 2025 11:42
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TODO
PartialSet::boundPartialsEmptyflags?AtomTypeMixactually required inPartialSet? Probably not if we initialise it from Species populations instead. A KeyedVector can then be returned when required.for_eachto handle ranges.masterTypeIndex_fromAtomatomTypePopulations_fromConfigurationConfiguration'sadjustSpeciesPopulation()really should not bepublic.NeutronWeightsXRayWeightsScatteringMatrixneeds an overhaul too.BraggModuleand handling of Bragg reflection data inSQModule