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C++ reimplementation of IDPP interpolation #371

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Replaces the original python code for IDPP interpolation with a C++ version that is at least 5x faster.


Checklist

  • The changes include an associated explanation of how/why
  • Test pass
  • Documentation has been updated
  • Changelog has been updated

@shoubhikraj shoubhikraj changed the base branch from master to v1.4.5 February 4, 2025 16:05
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autode/ext/src/idpp.cpp Dismissed Show dismissed Hide dismissed
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@shoubhikraj shoubhikraj requested a review from t-young31 February 5, 2025 11:29
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shoubhikraj commented Feb 5, 2025

@t-young31 Any ideas why importing the package is failing in github tests? On my mac and laptop they work perfectly well. I have changed setup.py to put the cython extensions under the autode module - before they were being installed as external modules separate from autode. Everything else should remain the same.

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