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Add algorithm to compute real Gaunt coefficient #24070
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Update The release notes on the wiki have been updated. |
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I'm still doing something wrong and i'm not sure what it is. I am in my local directory and I first entered |
The odd part is that my local clone is the version we had before I reset the head, but the version that was pushed to my remote repository is the original version I opened the pull request with. |
Looks good to me. This will merge when tests pass. |
I have coded a symbolic algorithm to compute the integral of three real spherical harmonics based on the outline presented in Homeier and Steinborn (1996). The appropriate import lines, references, and documentation have also been added throughout the entire file.
References to other Issues or PRs
I proposed these changes with the help of @smichr in pull request #24035, but I am new to GitHub and didnt merge the changes properly so I am opening a new pull request.
Brief description of what is fixed or changed
An algorithm to compute the real Gaunt coefficient has been added as a function titled real_gaunt, along with the appropriate import lines, references, and documentation scattered throughout the wigner.py file. A test function titled test_realgaunt was added to the testing file within the physics module as well. Lastly, the test functions for the clebsch-gordon function were all condensed down to one.
Other comments
The algorithm uses the already included Gaunt algorithm, but I can find another if this is problematic (due to copyright issues perhaps). Please also let me know if anyone finds any bugs or other conflicting lines.
EDIT: Very big thanks to Christopher Smith for suggesting a number of modifications that have made the program more concise and reduced the runtime significantly.
Release Notes
real_gaunt
function to compute the integral of 3 real spherical harmonics.