AtomsBase Unit conversion

JuliaMolSim / NeighbourLists.jl

neighbour list for particle simulations based on matscipy

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AtomsBase Unit conversion #27

Open cortner opened 3 months ago

cortner commented 3 months ago

The atomsbase interface in THIS LINE strips units without bothering to convert. I suggest to either introduce a check that units are compatible or to convert the cutoff radius to the right unit before applying ustrip

cortner commented 3 months ago

CC @tjjarvinen