Update interpolation input and output handling#73
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Update interpolation input and output handling#73
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I just found that Cabana has some interpolation capabilities to begin with. Maybe we should fall back to those and get rid of my mediocre implementation eventually. |
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Pull request overview
This PR refactors the interpolation utility to update an existing “target” data::MultiHistogram in-place using interpolated values from an “input” data::MultiHistogram, as part of the smooth thermodynamic force interpolation work in #47.
Changes:
- Replace the previous
interpolate(...) -> MultiHistogramAPI withupdateInterpolate(input, target) -> void. - Update the interpolation implementation to write results into the provided
targethistogram grid. - Update the unit test to validate the new in-place update behavior.
Reviewed changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 5 comments.
| File | Description |
|---|---|
mrmd/util/interpolation.hpp |
Updates the public API and documents the new in-place interpolation contract. |
mrmd/util/interpolation.cpp |
Implements in-place interpolation onto target’s grid using Kokkos parallelism. |
mrmd/util/interpolation.test.cpp |
Adapts the test to use updateInterpolate and compare against a reference histogram. |
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XzzX
requested changes
Feb 23, 2026
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Part of #47.
Changed the interpolation function to
updateInterpolate, which now updates the data on a giventargetMultiHistogram with interpolated data frominputMultiHistogram.