Optimize AtomicNonlocal term for the GPU#1265
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mfherbst merged 2 commits intoJuliaMolSim:masterfrom Apr 19, 2026
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This PR optimizes the
AtomicNonlocalterm instantiation and forces for the GPU. The same principles as #1163 and #1262 are applied. The largest performance impact is felt in stress and response calculations, when Duals are involved. However, since theAtomicNonlocalterm was never fully ported to the GPU, standard SCF and forces calculations are also accelerated.