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Add fail-closed GTH transferability matrix - #51

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benjipeng merged 1 commit into
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feat/dft-gth-transferability
Aug 26, 2026
Merged

Add fail-closed GTH transferability matrix#51
benjipeng merged 1 commit into
mainfrom
feat/dft-gth-transferability

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Summary

  • add a hash-pinned s/p/d GTH transferability matrix with independent coverage, science, and identity outcomes
  • add a reusable reciprocal-symmetry basis transform and retain the efficient two-atom primitive MgO q10 protocol
  • preserve the failed q10 feasibility result and existing MgO q2 science residuals instead of loosening thresholds
  • add d-channel nonlocal force derivative coverage and document the remaining production blockers

Verification

  • 12 primitive geometry, symmetry, workload, and existing Iron symmetry tests passed
  • 6 transferability matrix and d-channel force tests passed
  • ruff check src tests scripts
  • static API documentation generation
  • canonical site documentation sync check

Scientific status

Coverage is complete, but strict science and complete historical identities remain blocked; the report intentionally returns production_envelope_verified=false.

@benjipeng
benjipeng merged commit 1abd69b into main Aug 26, 2026
@benjipeng
benjipeng deleted the feat/dft-gth-transferability branch August 26, 2026 15:58
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