Skip to content

docs: explain LAMMPS exploration extra files - #393

Open
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:docs/issue-304-lammps-extra-files
Open

docs: explain LAMMPS exploration extra files#393
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:docs/issue-304-lammps-extra-files

Conversation

@njzjz-bot

Copy link
Copy Markdown

Summary

  • document input_extra_files for generated lmp-md task groups
  • show the DP-ZBL use_srtab table-file configuration
  • verify the normalized stage configuration copies the file content into each exploration task by basename

Tests

  • PYTHONPATH=tests python -m unittest -v tests.exploration.test_make_task_group_from_config.TestMakeLmpTaskGroupFromConfig
  • ruff format --check tests/exploration/test_make_task_group_from_config.py
  • isort --check-only tests/exploration/test_make_task_group_from_config.py
  • git diff --check

Closes #304

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

Document the input_extra_files path for DP-ZBL tables and verify that normalized lmp-md task groups copy each file into every task.

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
@dosubot dosubot Bot added size:XS This PR changes 0-9 lines, ignoring generated files. documentation Improvements or additions to documentation exploration labels Aug 23, 2026
@coderabbitai

coderabbitai Bot commented Aug 23, 2026

Copy link
Copy Markdown

Warning

Review limit reached

Next included review available in 7 minutes.

View limit details

Limit details: You’ve used the included review currently available.

You've used all free OSS reviews for now. Wait for the free limit to reset to keep reviewing this public repository.

Learn how review limits work.

Review configuration:

⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro Plus

Run ID: 4f6c7740-0bf4-4738-bce7-46c21c4d05ff

📥 Commits

Reviewing files that changed from the base of the PR and between b05af11 and b472b34.

📒 Files selected for processing (2)
  • docs/input.md
  • tests/exploration/test_make_task_group_from_config.py

Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out.

❤️ Share

Comment @coderabbitai help to get the list of available commands.

@codecov

codecov Bot commented Aug 23, 2026

Copy link
Copy Markdown

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.24%. Comparing base (fa4a4cf) to head (b472b34).
⚠️ Report is 109 commits behind head on master.

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #393      +/-   ##
==========================================
- Coverage   85.61%   84.24%   -1.37%     
==========================================
  Files          92      104      +12     
  Lines        4852     6107    +1255     
==========================================
+ Hits         4154     5145     +991     
- Misses        698      962     +264     

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

documentation Improvements or additions to documentation exploration size:XS This PR changes 0-9 lines, ignoring generated files.

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Missing file for "use_srtab" in run_lmp

1 participant