fix(pt/tf/dp): normalize the econf

[iProzd]

Summary by CodeRabbit

• Improvements
  • Enhanced the accuracy of energy configuration embeddings by adding a normalization step.

[coderabbitai]

Walkthrough

Walkthrough

A normalization step has been added to the get_econf_tebd function in type_embed.py, which ensures that the returned econf_tebd array is normalized by dividing it by its sum along the last axis.

Changes

File	Change Summary
deepmd/dpmodel/utils/type_embed.py	Added a normalization step in the get_econf_tebd function: econf_tebd /= econf_tebd.sum(-1, keepdims=True)

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant get_econf_tebd
    participant econf_tebd
    participant embed_input_dim

    User ->> get_econf_tebd: Call get_econf_tebd(type_map, precision)
    get_econf_tebd ->> econf_tebd: Compute econf_tebd
    get_econf_tebd ->> econf_tebd: Normalize econf_tebd by its sum
    econf_tebd -->> get_econf_tebd: Normalized econf_tebd
    get_econf_tebd -->> User: Return normalized econf_tebd and embed_input_dim

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[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.83%. Comparing base (e7add45) to head (a84675d).
Report is 105 commits behind head on devel.

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #3976   +/-   ##
=======================================
  Coverage   82.83%   82.83%           
=======================================
  Files         522      522           
  Lines       50871    50872    +1     
  Branches     3015     3015           
=======================================
+ Hits        42137    42139    +2     
+ Misses       7797     7795    -2     
- Partials      937      938    +1     

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