ORB_gaunt_table.h

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#ifndef ORB_GAUNT_TABLE_H
#define ORB_GAUNT_TABLE_H
 
#include <map>
#include "source_base/realarray.h"
#include "source_base/matrix.h"
 
class ORB_gaunt_table
{
    public:
 
    ORB_gaunt_table();
    ~ORB_gaunt_table();
 
    void init_Gaunt_CH(const int& Lmax);
    double Get_Gaunt_CH(
                            const int& l1,
                            const int& m1,
                            const int& l2,
                            const int& m2,
                            const int& l3,
                            const int& m3   );
 
    double Get_Gaunt_SH(
                            const int& l1,
                            const int& mm1,
                            const int& l2,
                            const int& mm2,
                            const int& l3,
                            const int& mm3  );
 
    double Calc_Gaunt_CH(
                            const int& l1,
                            const int& m1,
                            const int& l2,
                            const int& m2,
                            const int& l3,
                            const int& m3   );
                    
 
    ModuleBase::realArray Gaunt_Coefficients;
 
    /*
    void init_Ylm_Gaunt(
        const int &lmax, 
        const double &s1,
        const double &e1,
        const double &s2,
        const double &e2);
    */
 
    /*
    double Cal_Gaunt_single(
        const int &l1, 
        const int &m1, 
        const int &l2, 
        const int &m2, 
        const int &l, 
        const int &m, 
        const double &s1, 
        const double &e1,    
        const double &s2, 
        const double &e2);
    */
 
    void init_Gaunt(const int &lmax);
 
    static inline int get_lm_index(const int l, const int m)
    {
        return l*l+m;
    }
 
    static int Index_M(const int& m);
 
    int get_Lmax_Gaunt_Coefficients() const { return Lmax_Gaunt_Coefficients; }
    int get_Lmax_Gaunt_CH()           const { return Lmax_Gaunt_CH; }
 
    private:
    
    // Index Function
    // Yu's mehtod
    // Peize Lin delete void ModuleBase::GlobalFunc::ZEROS(); 2016-08-26
    
    //int P_EL(const int& L);
 
    int EP_EL(const int& L);
 
    int index_func(
            const int& l1,
            const int& l2,
            const int& l3,
            const int& m3   );
    
    double Fact(const int& n);
 
    void Swap(
            int& l1,
            int& m1,
            int& l2,
            int& m2 );
 
    //2*Lmax+1
    std::map<int,std::map<int,double>> Gaunt_CH;        // Peize Lin update 2016-08-26
    
    //direct integral
    ModuleBase::matrix Ylm_Gaunt;
 
    int Lmax_Gaunt_Coefficients = -1;
    int Lmax_Gaunt_CH = -1;
};
#endif