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brucefan1983
GPUMD
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[2/6] Add the NEP-spin potential to GPUMD
- #1852
#1852
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MagTheoryLab:codex/spin-2-potential
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[2/6] Add the NEP-spin potential to GPUMD
#1852
aboys-cb
wants to merge 10 commits into
brucefan1983:master
brucefan1983/GPUMD:master
from
MagTheoryLab:codex/spin-2-potential
MagTheoryLab/GPUMD:codex/spin-2-potential
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Commits
Commits on Oct 26, 2026
Add the NEP-spin potential to GPUMD
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Sync Spin training fixes and simplify potential regressions
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Commits on Oct 28, 2026
Merge master and isolate the fixed-spin GPUMD runtime
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Merge upstream master and fix NEP-spin runtime boundaries
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a018471
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Commits on Oct 29, 2026
Isolate Spin runtime controls and use Action magnetic fields
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e18bdf3
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Commits on Nov 1, 2026
Centralize Spin initialization and dispatch in Force
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Clarify NEP-spin requirements for XYZ input and output
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Decouple NEP-spin runtime from ordinary NEP
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Standardize NEP-spin license headers and contributor attribution
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Align NEP-spin file descriptions and contributor blocks with GPUMD conventions
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