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D3 calculator related issues & improvments #174

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YutackPark opened this issue Feb 18, 2025 · 0 comments

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YutackPark commented Feb 18, 2025

@dambi3613 any helps & idea appreciated

memory error when atoms of calculator is swapped frequently => create minimal example reproducing this error
D3 options for sevenn_inference && batching for D3 things
CPU fallback method
More visible & kind documentation for D3 LAMMPS install process

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