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Pull request overview

This PR fixes path handling in the stacking fault calculation task and updates documentation. The changes ensure proper file discovery in subdirectories and correct the unit description for the derivative metric.

Changes:

  • Changed file search from glob to rglob to recursively find trajectory and CSV files in subdirectories
  • Corrected the unit comment for MAE_dE from "mJ/m²/unit displacement" to "1/unit displacement" (dimensionless)
  • Added "stacking fault energy prediction" to the list of new Property Calculation tasks in the README

Reviewed changes

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File Description
lambench/tasks/calculator/stacking_fault/stacking_fault.py Fixed file search to use recursive glob and corrected unit comment for derivative metric
lambench/metrics/results/README.md Added stacking fault energy prediction to the list of new tasks

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codecov bot commented Jan 28, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 64.74%. Comparing base (90740ed) to head (733e2a0).
⚠️ Report is 3 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #399   +/-   ##
=======================================
  Coverage   64.74%   64.74%           
=======================================
  Files          35       35           
  Lines        1645     1645           
  Branches      203      203           
=======================================
  Hits         1065     1065           
  Misses        536      536           
  Partials       44       44           

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@anyangml anyangml merged commit 884a063 into deepmodeling:main Jan 28, 2026
10 checks passed
@anyangml anyangml deleted the fix/data-path-stacking-fault branch January 28, 2026 08:31
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