fix(jax): use more safe_for_vector_norm #4809
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn> (cherry picked from commit 2433566)
📝 Walkthrough## Walkthrough
The update modifies the `call` method in the `DescrptBlockRepflows` class, replacing the use of `xp.linalg.vector_norm` with `safe_for_vector_norm` for computing the distance mask used in angle neighbor selection. No changes were made to public interfaces or other logic.
## Changes
| File(s) | Change Summary |
|-------------------------------------|-------------------------------------------------------------------------------------------------|
| deepmd/dpmodel/descriptor/repflows.py | Replaced `xp.linalg.vector_norm` with `safe_for_vector_norm` for distance mask calculation in angle neighbor selection within the `call` method of `DescrptBlockRepflows`. |
## Possibly related PRs
- deepmodeling/deepmd-kit#4668: Both PRs update the `call` method in `DescrptBlockRepflows` to use `safe_for_vector_norm` instead of `xp.linalg.vector_norm` for vector norm calculations.
- deepmodeling/deepmd-kit#4794: Both PRs change the `call` method in `DescrptBlockRepflows` to use `safe_for_vector_norm`, but target different parts of the method.
## Suggested labels
`Python`
## Suggested reviewers
- iProzdWarning There were issues while running some tools. Please review the errors and either fix the tool's configuration or disable the tool if it's a critical failure. 🔧 Pylint (3.3.7)deepmd/dpmodel/descriptor/repflows.pyNo files to lint: exiting. 📜 Recent review detailsConfiguration used: CodeRabbit UI 📒 Files selected for processing (1)
🚧 Files skipped from review as they are similar to previous changes (1)
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #4809 +/- ##
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- Coverage 84.79% 84.69% -0.10%
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Files 698 698
Lines 67821 67821
Branches 3541 3541
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- Hits 57508 57441 -67
- Misses 9178 9243 +65
- Partials 1135 1137 +2 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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Pull Request Overview
This PR improves the accuracy of neighbor selection for angle calculations by replacing the direct use of xp.linalg.vector_norm with a safer alternative.
- Replaces xp.linalg.vector_norm() with safe_for_vector_norm() for better robustness in vector norm computations.
- Aims to mitigate errors in neighbor determination within the angular cutoff radius.
Comments suppressed due to low confidence (1)
deepmd/dpmodel/descriptor/repflows.py:495
- Ensure that safe_for_vector_norm is properly imported or defined in this module to avoid a potential NameError.
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(cherry picked from commit 2433566)
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