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@njzjz njzjz commented Mar 6, 2025

We haven't met a situation where c_differentiable != r_differentiable.

Summary by CodeRabbit

  • Refactor
    • Refined internal processing to streamline evaluation logic. These improvements optimize back-end calculations while ensuring consistent performance and user experience.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz requested review from Copilot and wanghan-iapcm March 6, 2025 13:10
@github-actions github-actions bot added the Python label Mar 6, 2025
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PR Overview

This PR addresses a typo fix in the JAX model where the field name for differentiation was corrected.

  • Corrects a typo in the conditional from c_differentiable to r_differentiable.

Reviewed Changes

File Description
deepmd/jax/model/base_model.py Corrects the property name for differentiation in the model code

Copilot reviewed 1 out of 1 changed files in this pull request and generated no comments.

Comments suppressed due to low confidence (1)

deepmd/jax/model/base_model.py:50

  • The field name has been updated from c_differentiable to r_differentiable; please verify that this change is consistent with other parts of the codebase where differentiation is handled.
if vdef.r_differentiable:

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coderabbitai bot commented Mar 6, 2025

📝 Walkthrough

Walkthrough

This change updates the conditional check in the forward_common_atomic function of the DeepMD JAX model. The logic now checks vdef.r_differentiable instead of vdef.c_differentiable to decide whether to define and execute the nested eval_output function. The remaining execution flow remains unaltered.

Changes

File Change Summary
deepmd/jax/.../base_model.py Updated the conditional check in the forward_common_atomic function from vdef.c_differentiable to vdef.r_differentiable

Sequence Diagram(s)

sequenceDiagram
    participant Caller
    participant ForwardCommonAtomic as forward_common_atomic
    participant EvalOutput as eval_output

    Caller->>ForwardCommonAtomic: Call forward_common_atomic(...)
    alt When vdef.r_differentiable is True
        ForwardCommonAtomic->>EvalOutput: Define and execute eval_output
        EvalOutput-->>ForwardCommonAtomic: Return evaluated result
    else When vdef.r_differentiable is False
        ForwardCommonAtomic-->>ForwardCommonAtomic: Skip eval_output execution
    end
    ForwardCommonAtomic-->>Caller: Return final result
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Python


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  • deepmd/jax/model/base_model.py (1 hunks)
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🔇 Additional comments (1)
deepmd/jax/model/base_model.py (1)

50-50: Correct fix for type usage.

This change fixes the conditional check to properly use vdef.r_differentiable instead of c_differentiable, which aligns with the logical flow of the code. The assertion on line 91 confirms that r_differentiable is a prerequisite for c_differentiable, so checking for r_differentiable first makes sense when computing derivatives related to positions.

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codecov bot commented Mar 6, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.78%. Comparing base (65812b8) to head (b55ca96).
Report is 75 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #4640   +/-   ##
=======================================
  Coverage   84.78%   84.78%           
=======================================
  Files         688      688           
  Lines       66091    66091           
  Branches     3539     3539           
=======================================
  Hits        56032    56032           
  Misses       8918     8918           
  Partials     1141     1141           

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@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Mar 7, 2025
Merged via the queue into deepmodeling:devel with commit 89ab2d3 Mar 7, 2025
60 checks passed
@njzjz njzjz added this to the v3.0.3 milestone May 21, 2025
njzjz added a commit to njzjz/deepmd-kit that referenced this pull request May 21, 2025
…#4640)

We haven't met a situation where  c_differentiable != r_differentiable.

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

## Summary by CodeRabbit

- **Refactor**
- Refined internal processing to streamline evaluation logic. These
improvements optimize back-end calculations while ensuring consistent
performance and user experience.

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

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
(cherry picked from commit 89ab2d3)
njzjz added a commit to njzjz/deepmd-kit that referenced this pull request May 21, 2025
…#4640)

We haven't met a situation where  c_differentiable != r_differentiable.

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

## Summary by CodeRabbit

- **Refactor**
- Refined internal processing to streamline evaluation logic. These
improvements optimize back-end calculations while ensuring consistent
performance and user experience.

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

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
(cherry picked from commit 89ab2d3)
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