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Add standalone native MACE inference path (gpumd_mace) with offline .pt→.mace conversion#3

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zhyan0603 with Copilot wants to merge 30 commits into
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Add standalone native MACE inference path (gpumd_mace) with offline .pt→.mace conversion#3
zhyan0603 with Copilot wants to merge 30 commits into
masterfrom
copilot/add-native-mace-support

Polish overflow handling and validate neighbor index range

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