numerical_basis_jyjy.h

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#ifndef NUMERICAL_BASIS_JYJY_H
#define NUMERICAL_BASIS_JYJY_H
 
#include "source_base/complexarray.h"
#include "source_base/matrix3.h"
#include "source_base/vector3.h"
 
#include <tuple>
#include <vector>
 
namespace NumericalBasis
{
std::vector<std::tuple<int, int, int, int>> indexgen(const std::vector<int>& natom, const std::vector<int>& lmax);
 
ModuleBase::ComplexArray cal_overlap_Sq(const char type, // 'S' or 'T'
                                        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);
 
std::vector<ModuleBase::Vector3<double>> neighbor_vec(const ModuleBase::Vector3<double>& d0,
                                                      const ModuleBase::Matrix3& latvec, const double r);
 
} // namespace NumericalBasis
 
#endif