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) |