Conversation
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The documentation for this PR is (or will soon be) available on readthedocs: https://rascaline--153.org.readthedocs.build/en/153/ |
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Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping |
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This is very useful for the LE basis and the monomials! Are we exporting these to Python as well? We need these functions for the tabulated splining if we don't want to add |
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Exporting these to Python was not really the plan since we are not in the business of providing special functions implementations (and actually most of this code would be better in a separate The idea for these was more to provide "creation of arbitrary radial basis splines" directly on the Rust side, or a pure Rust implementation of the LE basis. |
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Okay I see. I am asking because I am doing a general |
(opening a draft PR in case someone wants to help bring this to completion)
This PR adds most of the bessel functions to rascaline, porting them from scipy/cephes. These functions will be needed for a native implementation of the LE basis, and to implement numerical integration in the radial integral.
The main thing missing is a set of tests for the
jvandyvbessel functions, for input values all over the range where these functions are defined, and triple checking around any poles/special points.