ABFs_Construct::PCA Namespace Reference

Functions
void	tensor_dsyev (const char jobz, const char uplo, RI::Tensor< double > &a, double *const w, int &info)
RI::Tensor< double >	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 >	get_column_mean0_matrix (const RI::Tensor< double > &m)
std::vector< std::vector< std::pair< std::vector< double >, RI::Tensor< double > > > >	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)

Function Documentation

cal_PCA()

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
	)

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get_column_mean0_matrix()

RI::Tensor< double > ABFs_Construct::PCA::get_column_mean0_matrix

(

const RI::Tensor< double > &

m

)

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get_sub_matrix()

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
	)

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tensor_dsyev()

void ABFs_Construct::PCA::tensor_dsyev	(	const char	jobz,
		const char	uplo,
		RI::Tensor< double > &	a,
		double *const	w,
		int &	info
	)

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