spar_u.h

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#ifndef SPARSE_FORMAT_U_H 
#define SPARSE_FORMAT_U_H
 
#include "source_lcao/module_ri/abfs-vector3_order.h"
#include "source_lcao/module_dftu/dftu.h" // mohan add 20251107
 
namespace sparse_format
{
 
    void cal_HR_dftu(
        Plus_U &dftu, // mohan add 2025-11-07
        const Parallel_Orbitals &pv,
        std::set<Abfs::Vector3_Order<int>> &all_R_coor,
        std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double>>> &SR_sparse,
        std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double>>> *HR_sparse,
        const int &current_spin, 
        const double &sparse_thr);
 
    void cal_HR_dftu_soc(
        Plus_U &dftu, // mohan add 2025-11-07
        const Parallel_Orbitals &pv,
        std::set<Abfs::Vector3_Order<int>> &all_R_coor,
        std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double>>>> &SR_soc_sparse,
        std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double>>>> &HR_soc_sparse,
        const int &current_spin, 
        const double &sparse_thr);
 
}
 
#endif