Ability to assign fractional masses to SpeciesAtoms #1954
Labels
Scope: Workflow
Affects general workflow or operation
Type: Enhancement
Enhancement for existing feature
Describe the feature / issue
To achieve better control over phantom atoms, as well as allow the use of e.g. core-shell models, we need the ability to be able to specify a non-standard mass for individual
SpeciesAtoms
, rather than rely on those tabulated values inAtomicMass
.This probably warrants the introduction of a new type of phantom atom which can contribute its mass to the overall mass of its Species.
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