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@mfherbst
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Ah I just realised this is not that simple because AtomsCalculatorsUtilities.jl also needs to be updated ... this goes a little beyond my competences.

@tjjarvinen Can you take a look ?

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We need first JuliaMolSim/NeighbourLists.jl#31 and then I can update AtomsCalculatorsUtilities.jl

@tjjarvinen tjjarvinen merged commit ed0c890 into main Dec 20, 2024
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@tjjarvinen tjjarvinen deleted the ab05 branch December 20, 2024 18:50
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3 participants