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wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses
BSD 3-Clause "New" or "Revised" License
13 stars 9 forks source link

Include Womersley's spherical t designs. #57

Closed susilehtola closed 1 year ago

susilehtola commented 1 year ago

This PR implements Womersley's spherical t designs.

I only included the rules with up to 8000 points, since going to the full 16k points would make the PR over 100 MB.

susilehtola commented 1 year ago

@wavefunction91 ready to merge