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Ability to assign fractional masses to SpeciesAtoms #1954

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Tracked by #1952
trisyoungs opened this issue Jun 27, 2024 · 0 comments
Open
Tracked by #1952

Ability to assign fractional masses to SpeciesAtoms #1954

trisyoungs opened this issue Jun 27, 2024 · 0 comments
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Scope: Workflow Affects general workflow or operation Type: Enhancement Enhancement for existing feature

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@trisyoungs
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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 in AtomicMass.

This probably warrants the introduction of a new type of phantom atom which can contribute its mass to the overall mass of its Species.

@trisyoungs trisyoungs added the Type: Enhancement Enhancement for existing feature label Jun 27, 2024
@trisyoungs trisyoungs added the Scope: Workflow Affects general workflow or operation label Jul 10, 2024
@github-project-automation github-project-automation bot moved this to Workflow in Overview Aug 30, 2024
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Labels
Scope: Workflow Affects general workflow or operation Type: Enhancement Enhancement for existing feature
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Status: Workflow
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