numerical_basis_jyjy.h File Reference

#include "source_base/complexarray.h"
#include "source_base/matrix3.h"
#include "source_base/vector3.h"
#include <tuple>
#include <vector>

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Namespaces
namespace	NumericalBasis

Functions
std::vector< std::tuple< int, int, int, int > >	NumericalBasis::indexgen (const std::vector< int > &natom, const std::vector< int > &lmax)
ModuleBase::ComplexArray	NumericalBasis::cal_overlap_Sq (const char type, const int lmax, const int nbes, const double rcut, const std::vector< std::vector< ModuleBase::Vector3< double > > > &tau_cart, const ModuleBase::Matrix3 &latvec, const std::vector< std::tuple< int, int, int, int > > &mu_index)
	<jy|op|jy> overlap matrix (two-center integration)
std::vector< ModuleBase::Vector3< double > >	NumericalBasis::neighbor_vec (const ModuleBase::Vector3< double > &d0, const ModuleBase::Matrix3 &latvec, const double r)
	Searching for all relative position vectors for periodic images within a cutoff radius.