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lab-cosmo / sphericart

Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
https://sphericart.readthedocs.io/en/latest/
MIT License
73 stars 13 forks source link

zero-neighbour patch #126

Closed nickjbrowning closed 4 months ago

nickjbrowning commented 4 months ago

This commit patches in support for zero-sized tensors for cases where there are no neighbours.

github-actions[bot] commented 4 months ago

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

nickjbrowning commented 4 months ago

@frostedoyster your solution is much better than mine!

frostedoyster commented 4 months ago

Ok, I will change that test and merge