Add TorchNEP: a pure-PyTorch NEP4 training framework#1574

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mushroomfire wants to merge 8 commits into

brucefan1983:masterfrom

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Commits on Jun 26, 2026

Commits on Jun 27, 2026

make prediction output same with GPUMD
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Commits on Jun 28, 2026

Use the 6-component virial tensor convention; Add a header line (#) to loss.out and remove the gnorm column.
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remove qscalar test
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Commits on Jun 29, 2026

analytical b1; gpumd qscalar
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Commits on Jun 30, 2026

rename to qscaler; change defaults same with gpumd init
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