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Add DPNEGF in intro - #365

Merged
QG-phy merged 1 commit into
deepmodeling:mainfrom
AsymmetryChou:update_note
Jul 15, 2026
Merged

Add DPNEGF in intro#365
QG-phy merged 1 commit into
deepmodeling:mainfrom
AsymmetryChou:update_note

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@AsymmetryChou

@AsymmetryChou AsymmetryChou commented Jul 12, 2026

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Summary by CodeRabbit

  • Documentation
    • Updated the “About DeePTB” section to mention integration with DPNEGF for high-performance, NEGF-based quantum transport simulations.

@AsymmetryChou
AsymmetryChou requested a review from QG-phy July 12, 2026 10:06
@coderabbitai

coderabbitai Bot commented Jul 12, 2026

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Review Change Stack

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: 9d5176e0-6bfb-4dc5-9612-4225a6a7ed5d

📥 Commits

Reviewing files that changed from the base of the PR and between 5fe6fa5 and 9eca982.

📒 Files selected for processing (1)
  • README.md

📝 Walkthrough

Walkthrough

The README’s “About DeePTB” paragraph now states that DeePTB-generated Hamiltonians can integrate with DPNEGF for NEGF-based high-performance quantum transport simulations.

Changes

Documentation Update

Layer / File(s) Summary
Update About DeePTB description
README.md
The introductory description adds DeePTB-generated Hamiltonian integration with DPNEGF for NEGF-based quantum transport simulations.

Estimated code review effort: 1 (Trivial) | ~2 minutes

🚥 Pre-merge checks | ✅ 4 | ❌ 1

❌ Failed checks (1 warning)

Check name Status Explanation Resolution
Description check ⚠️ Warning No PR description was provided, so the required template sections are all missing. Add the required Scope, Impact Area, Risk/Compatibility, Tests, AI Assistance, and Merge Decision sections per the template.
✅ Passed checks (4 passed)
Check name Status Explanation
Title check ✅ Passed The title matches the main change: adding DPNEGF mention to the README intro.
Docstring Coverage ✅ Passed No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.

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This advisory review plan was generated from changed file names using trusted base-branch code.
此审查计划由受信任的 base 分支代码根据变更文件名生成,仅作为维护者辅助。

DeePTB PR Review Plan / DeePTB PR 审查计划

Risk / 风险等级: Low (低) · Changed files / 变更文件: 1

Why / 风险来源

  • Documentation changed. / 文档有变更。

Recommended Review / 建议审查重点

  • Optional: run the Test Gap Review Prompt if examples, docs commands, or test markers changed. / 可选:如果示例、文档命令或测试 marker 有变更,运行测试缺口审查 prompt。
  • Confirm the changed behavior matches the PR scope. / 确认变更行为和 PR 范围一致。
Detailed risk areas
  • Documentation (Low): README.md
Human review focus
  • Documentation: stale commands, stale paths, config consistency, and Sphinx warnings
Local commands and hold conditions

Suggested local commands:

  • uv run python -m sphinx -b html docs docs/_build/pr-review-plan-html

Hold conditions:

  • CI failed and the failure is not explained.
  • The PR scope is unclear or mixes unrelated changes.

Advisory only. / 仅作为审查辅助。

@QG-phy
QG-phy merged commit 1dcc7f6 into deepmodeling:main Jul 15, 2026
5 checks passed
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2 participants