materialsvirtuallab / matgl

Graph deep learning library for materials
BSD 3-Clause "New" or "Revised" License
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Enable the smooth version of spherical bessel functions in TensorNet #230

Closed kenko911 closed 4 months ago

kenko911 commented 4 months ago

Summary

Enable the smooth version of spherical Bessel functions in TensorNet, this is particularly important for the smoothness of trained PESs.

Checklist

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install
codecov[bot] commented 4 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (12ded8c) 98.76% compared to head (0b31ac5) 98.80%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #230 +/- ## ========================================== + Coverage 98.76% 98.80% +0.03% ========================================== Files 33 33 Lines 2748 2750 +2 ========================================== + Hits 2714 2717 +3 + Misses 34 33 -1 ```

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