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metatensor-operations finite difference test for add #479

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merged 2 commits into from
Jul 3, 2024
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agoscinski
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@agoscinski agoscinski commented Feb 2, 2024

This PR adds utilities for doing finite difference tests for the metatensor-operations and uses them in the simple example of the add operation.
This is the first PR addressing issue #84
The idea of the testing utilities originates from issue #469

In the next run on this PR I want to dispatch the testing utilities so they can also be used for torch, but before that I would like to have some general feedback if this is going in a good direction.

TODOs:

  • The documentation is still needs some work. Also would add the testing utils to the doc.
  • function cartesian_linear needs to be implemented

Contributor (creator of pull-request) checklist

  • Tests updated (for new features and bugfixes)?
  • Documentation updated (for new features)?
  • Issue referenced (for PRs that solve an issue)?

Reviewer checklist

  • CHANGELOG updated with public API or any other important changes?

📚 Documentation preview 📚: https://metatensor--479.org.readthedocs.build/en/479/


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github-actions bot commented Feb 2, 2024

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

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very good i think it is also very clear

@Luthaf Luthaf force-pushed the add-gradcheck branch 2 times, most recently from a9f6e9a to 200ff10 Compare July 2, 2024 15:53
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Luthaf commented Jul 3, 2024

@DavideTisi do you want to give this one last look? It should then be good to go!

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for me it is fine

@Luthaf Luthaf merged commit ef1383c into master Jul 3, 2024
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@Luthaf Luthaf deleted the add-gradcheck branch July 3, 2024 11:23
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Luthaf commented Jul 3, 2024

Thanks!

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3 participants