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Weighted K-means Clustering

Alex Buccheri requested to merge isdf/kmeans_clustering into main

KMeans Clustering

This MR implements an MPI-aware version of the weighted K-means clustering algorithm, for use in finding ISDF (interpolative separable density fitting) points. This closes issue #1006

More details can be found in:

A standalone prototype can be found on @AlexBuccheri's Github, with unit and app tests.

For a weight function of Gaussians, on a 2D grid, one expects an output:

kmeans

Edited by Alex Buccheri

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