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Structure notebook: section 3 split into 3.1 (formula of a plane) and 3.2 (cleaved slab per orientation, with the even-planes sentence moved there); section 4 into 4.1 (cut and remove) and 4.2 (report). Simulation notebook: a sentence above the account selection; section 6 split into 6.1 (find or create a job), 6.2 (one Total Energy job per material) and 6.3 (submit and wait). Markdown only. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…s of the notebook, section 4 as before Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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| Layer / File(s) | Summary |
|---|---|
Slab notebook sections other/materials_designer/specific_examples/slab_strontium_titanate.ipynb |
The plane-formula section describes the formula notation. A new section explains alternating planes and differing slab faces. Subsequent cell IDs are updated. |
Simulation notebook sections other/materials_designer/specific_examples/slab_strontium_titanate_SIMULATION.ipynb |
The notebook adds account context and subsection headings for material and compute setup, job execution, and result analysis. Cell IDs are updated; computational code is unchanged. |
Priority:
Estimated code review effort: 1 (Trivial) | ~5 minutes
Change: Other
Possibly related PRs
- mat3ra/api-examples#386: Added the SrTiO3 structure and simulation notebooks that this pull request reorganizes and documents.
Suggested reviewers: timurbazhirov
Merge Risk: 
94840
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The documentation-only notebook changes introduce no established merge-blocking risk.
Pre-merge checks: 
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Check name Status Explanation Description Check Check skipped - CodeRabbit’s high-level summary is enabled. Title check The title accurately describes the main change: adding Markdown descriptions above code cells in the SrTiO3 notebooks. It is specific and related to the changeset. Docstring Coverage No eligible functions found in the changed files. Skipping docstring coverage check. Docstring coverage is scoped to functions touched by this diff with cyclomatic complexity of at least 2. Documentat… Linked Issues check Check skipped because no linked issues were found for this pull request. Out of Scope Changes check Check skipped because no linked issues were found for this pull request. Full details: Docstring Coverage
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Explanation
No eligible functions found in the changed files. Skipping docstring coverage check. Docstring coverage is scoped to functions touched by this diff with cyclomatic complexity of at least 2. Documentation-only edits and deletions within surviving functions are included; unchanged diff context and fully deleted functions are excluded. Analyzed 0 functions across 0 files. (2 skipped: 2 unsupported.)
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Every code cell in
slab_strontium_titanate.ipynbandslab_strontium_titanate_SIMULATION.ipynbnow has a markdown description directly above it; markdown only, no code change (follow-up to #386).🤖 Generated with Claude Code
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