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SOF-8043: Gr/Ni(111) registry and work of adhesion — Specific Example - #364

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feature/SOF-8043

Sep 15, 2026

Commits on Sep 1, 2026
- SOF-8043: add Gr/Ni(111) registry and separation simulation notebook
  
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  ddae395
- SOF-8043: fix review findings in the Gr/Ni(111) simulation notebook
  
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- SOF-8043: correct the bridge registry and the reference-job settings
  
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- SOF-8043: ground every calculation parameter in physics, the paper, or a default
  
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Commits on Sep 2, 2026
- SOF-8043: reproduce the published protocol — relaxation, work of adhesion, LDA
  
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Commits on Sep 3, 2026
- SOF-8043: break up the walls of code
  
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- SOF-8043: film shifts as site steps, per VB
  
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- SOF-8043: state decisions, drop the explanations
  
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Commits on Sep 6, 2026
- Add reusable surface, relaxation, energetics, interface and compute helpers
  
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Commits on Sep 11, 2026
Commits on Sep 12, 2026
- Apply re-review of 768f1f90: two comment trims, one buckling-verdict scope fix
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- Extract notebook-defined helpers into notebooks_utils
  
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  bf0f5c1
- Fix review of bf0f5c11: IPython-free label_interface_parts, relaxed-Ni site map
  
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  a91f239
- Lazy-import label_interface_parts in notebooks_utils.material
  
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- Drop the material.py facade for label_interface_parts
  
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  870a918
- Rename test_material.py to test_material_interface.py
  
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  e8f82cb
- Give the DFT-tier relaxation a full node and a longer time limit
  
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  41950ff
- Replace pass/fail verdicts with a plain comparison table
  
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  7161a20
- Fix the structure notebook's dead plotting import
  
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Commits on Sep 13, 2026
- Match made#298's SurfaceSiteAnalyzer API change (crystal by default)
  
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  36205e2
- Use branch-local neighbors when accepting a bracketed minimum
  
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  0b5c105
Commits on Sep 14, 2026
Commits on Sep 15, 2026

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Commits on Sep 15, 2026