DeePKS: support collinear spin (nspin=2) - #7433

Merged

mohanchen merged 14 commits into

deepmodeling:developfrom

Jun 9, 2026

Commits on Jun 4, 2026

deepks(nspin2): add magnetization-channel data members

ErjieWu
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claude
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deepks(nspin2): compute charge/magnetization channels, feed 2-channel model

ErjieWu
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claude
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deepks(nspin2): apply per-spin V_delta and forces/stress

ErjieWu
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claude
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deepks(nspin2): write the dm_eig descriptor label with the spin channel

ErjieWu
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claude
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deepks(nspin2): spin channel for precalc labels and bandgap

ErjieWu
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claude
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test(deepks): add nspin=2 integration tests (29-31)

ErjieWu
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claude
committed

Commits on Jun 5, 2026