Add maximum determinant npz files and conversion script#298
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ShivamSukhija wants to merge 1 commit intotheochem:masterfrom
Open
Add maximum determinant npz files and conversion script#298ShivamSukhija wants to merge 1 commit intotheochem:masterfrom
ShivamSukhija wants to merge 1 commit intotheochem:masterfrom
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This PR adds maximum determinant quadrature data in
.npzformat along with a script to convert the original data files from the UNSW website.Changes
.npzdata files (keys:degree,size,weights,points).npzformatValidation
The converted data has been validated to ensure: