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Evaluate a splined radial basis #287

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sirmarcel opened this issue Mar 4, 2024 · 1 comment
Open

Evaluate a splined radial basis #287

sirmarcel opened this issue Mar 4, 2024 · 1 comment
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Python Issues related to the Python API

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@sirmarcel
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Hello, as discussed on Slack, here's a feature request: It'd be nice to be able to evaluate a (splined) radial basis at arbitrary points for testing purposes. This would allow fine-grained testing of alternative implementations, as opposed to end-to-end testing via the SphericalExpansion calculators.

@Luthaf Luthaf added the Python Issues related to the Python API label Mar 4, 2024
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Luthaf commented Mar 4, 2024

This would mainly require copying the code from here to a Python function:

https://github.com/Luthaf/rascaline/blob/5ac2ee9e6b45f31ba608c02d6d8dd7d82b2009a9/rascaline/src/math/splines.rs#L228-L284

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