ABFs_Construct-PCA.cpp File Reference

#include "ABFs_Construct-PCA.h"
#include "exx_abfs-abfs_index.h"
#include "../../source_base/module_external/lapack_connector.h"
#include "../../source_base/global_function.h"
#include "../../source_base/element_basis_index.h"
#include "../../source_base/matrix.h"
#include "../../source_lcao/module_ri/Matrix_Orbs11.h"
#include "../../source_lcao/module_ri/Matrix_Orbs21.h"
#include <cassert>
#include <limits>

Include dependency graph for ABFs_Construct-PCA.cpp:

Namespaces
namespace	ABFs_Construct
namespace	ABFs_Construct::PCA

Functions
void	ABFs_Construct::PCA::tensor_dsyev (const char jobz, const char uplo, RI::Tensor< double > &a, double *const w, int &info)
RI::Tensor< double >	ABFs_Construct::PCA::get_sub_matrix (const RI::Tensor< double > &m, const std::size_t &T, const std::size_t &L, const ModuleBase::Element_Basis_Index::Range &range, const ModuleBase::Element_Basis_Index::IndexLNM &index)
RI::Tensor< double >	ABFs_Construct::PCA::get_column_mean0_matrix (const RI::Tensor< double > &m)
std::vector< std::vector< std::pair< std::vector< double >, RI::Tensor< double > > > >	ABFs_Construct::PCA::cal_PCA (const UnitCell &ucell, const LCAO_Orbitals &orb, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &abfs, const double kmesh_times)