Fix: PairTab Data

[anyangml]

one of the columns in the original table contains faulty data. I think this should resolve #3809

Summary by CodeRabbit

• Bug Fixes
  • Improved weight computation in the atomic model to handle edge cases more effectively.
• Tests
  • Updated the configuration related to a water potential calculation by modifying the value of "sw_rmax" in test_permutation.py.
  • Adjusted the precision used in tests by changing the places variable assignment in test_autodiff.py.

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Commits

Files that changed from the base of the PR and between bfbf6e2 and 7f7d55c.

Walkthrough

The recent changes focus on enhancing the _compute_weight function in the LinearAtomicModel class and adjusting a configuration value in test_permutation.py. These modifications aim to improve calculation accuracy and update potential calculation configurations for water systems.

Changes

File Path	Change Summary
deepmd/pt/model/atomic_model/linear_atomic_model.py	Updated _compute_weight function to use torch.where for conditional calculation of numerator.
source/tests/pt/model/test_permutation.py	Modified "sw_rmax" value from 1.0 to 4.0 in the test configuration for water potential.
source/tests/pt/model/test_autodiff.py	Updated places variable assignment from 8 to 6 in ForceTest and VirialTest classes.

Assessment against linked issues

Objective	Addressed	Explanation
Recent unit tests failures	✅

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[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 81.25%. Comparing base (f303484) to head (7f7d55c).
Report is 138 commits behind head on devel.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #3812      +/-   ##
==========================================
- Coverage   82.50%   81.25%   -1.25%     
==========================================
  Files         516      516              
  Lines       48938    48938              
  Branches     2981     2981              
==========================================
- Hits        40378    39767     -611     
- Misses       7649     8263     +614     
+ Partials      911      908       -3     

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