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docs: fix defination of se_e3 #4113

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merged 2 commits into from
Sep 11, 2024
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@njzjz njzjz commented Sep 9, 2024

As discussed in #4066

Summary by CodeRabbit

  • Documentation
    • Updated the description of the se_e3 notation for improved clarity regarding its relation to three-body embedding in DeepPot-SE.
    • Enhanced explanation of bond-angle information in the context of the embedding.

As discussed in deepmodeling#4066

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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coderabbitai bot commented Sep 9, 2024

Walkthrough

Walkthrough

The changes in the pull request focus on refining the description of the se_e3 notation in the documentation. The updated text clarifies that se_e3 pertains to a three-body embedding within the Deep Potential Smooth Edition (DeepPot-SE) and emphasizes the incorporation of bond-angle information. The input specification regarding bond angles between a central atom and its two neighboring atoms remains unchanged. The modifications enhance clarity in the document.

Changes

Files Change Summary
doc/model/train-se-e3.md Refined description of se_e3 notation to clarify its relation to three-body embedding in DeepPot-SE, emphasizing bond-angle information. Input specification remains unchanged.

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Files that changed from the base of the PR and between b6e27e4 and efa6733.

Files selected for processing (1)
  • doc/model/train-se-e3.md (1 hunks)
Files skipped from review due to trivial changes (1)
  • doc/model/train-se-e3.md

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@github-actions github-actions bot added the Docs label Sep 9, 2024
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codecov bot commented Sep 9, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 83.01%. Comparing base (d2b6243) to head (efa6733).
Report is 201 commits behind head on devel.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #4113      +/-   ##
==========================================
- Coverage   83.02%   83.01%   -0.01%     
==========================================
  Files         532      532              
  Lines       52174    52174              
  Branches     3030     3030              
==========================================
- Hits        43319    43314       -5     
- Misses       7911     7913       +2     
- Partials      944      947       +3     

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

Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz requested a review from wanghan-iapcm September 10, 2024 20:39
@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Sep 11, 2024
Merged via the queue into deepmodeling:devel with commit b38098d Sep 11, 2024
60 checks passed
mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this pull request Sep 18, 2024
As discussed in deepmodeling#4066

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit


- **Documentation**
- Updated the description of the `se_e3` notation for improved clarity
regarding its relation to three-body embedding in DeepPot-SE.
- Enhanced explanation of bond-angle information in the context of the
embedding.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>
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