vector_localization.h File Reference
#include <random>
#include <utility>
#include <vector>
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/math/external/eigen/eigen.h"
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Classes

class  mpqc::math::VectorCluster< T >
 

Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::math
 

Typedefs

template<typename T >
using mpqc::math::Vector = Eigen::Matrix< T, Eigen::Dynamic, 1 >
 

Functions

template<typename T >
void mpqc::math::attach_to_closest (Matrix< T > const &D, std::vector< VectorCluster< T >> &clusters, bool init=false)
 
template<typename T >
std::vector< VectorCluster< T > > mpqc::math::init_rows (Matrix< T > const &D, unsigned long num_clusters)
 
template<typename T >
Vector< unsigned long > mpqc::math::get_pivots (std::vector< VectorCluster< T >> const &clusters)
 
template<typename T >
auto mpqc::math::all_have_elems (std::vector< T > &vs)
 
template<typename T >
TA::TiledRange1 mpqc::math::localize_vectors_with_kmeans (Matrix< T > const &xyz, Matrix< T > &D, unsigned long num_clusters)