JuliaMolSim / AtomsCalculatorsUtilities.jl

Utilities for implementing AtomsCalculators
MIT License
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Type instability in PairPotential Implementation #12

Closed cortner closed 2 weeks ago

cortner commented 2 months ago

This can be seen e.g. here. The type signature is abstract.

It doesn't actually make a real different because the neighbourlist dominates. But if a better neighbourlist with buffers and updates were used then this would become problematic.

cortner commented 2 weeks ago

fixed in #18