Functions/Subroutines
subroutine	write_xyz (namespace, fname, position, species)
	Simplified xyz output for finite systems. More...

subroutine, public	test_weighted_kmeans (namespace)
	Test weighted kmeans algorithm for a finite system. More...

Function/Subroutine Documentation

◆ write_xyz()

subroutine test_kmeans_clustering_oct_m::write_xyz	(	type(namespace_t), intent(in)	namespace,
		character(len=*), intent(in)	fname,
		real(real64), dimension(:, :), intent(in)	position,
		character(len=*), dimension(:), intent(in)	species
	)

private

Simplified xyz output for finite systems.

subroutine, public test_kmeans_clustering_oct_m::test_weighted_kmeans ( type(namespace_t), intent(in) namespace )

Test weighted kmeans algorithm for a finite system.

Output the density, initial and final centroids. Compute a relative metric of the final centroid quality,