spar_exx.h

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#ifndef SPARSE_FORMAT_EXX_H
#define SPARSE_FORMAT_EXX_H
 
#ifdef __EXX
 
// --------------------------------------------------------
// Header files - minimal set for declaration only
// --------------------------------------------------------
 
#include <RI/global/Tensor.h>
#include <array>
#include <map>
#include <vector>
 
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_cell/unitcell.h"
#include "source_lcao/LCAO_HS_arrays.hpp"
 
// --------------------------------------------------------
// Namespace - merged into one block
// --------------------------------------------------------
 
namespace sparse_format
{
 
template <typename Tdata>
void cal_HR_exx(
    const UnitCell& ucell,
    const Parallel_Orbitals& pv,
    LCAO_HS_Arrays& HS_Arrays,
    const int& current_spin,
    const double& sparse_thr,
    const int (&nmp)[3],
    const std::vector<std::map<int, std::map<std::pair<int, std::array<int, 3>>, RI::Tensor<Tdata>>>>& Hexxs);
 
// Explicit instantiations for double and complex<double> types
extern template void cal_HR_exx<double>(
    const UnitCell& ucell,
    const Parallel_Orbitals& pv,
    LCAO_HS_Arrays& HS_Arrays,
    const int& current_spin,
    const double& sparse_thr,
    const int (&nmp)[3],
    const std::vector<std::map<int, std::map<std::pair<int, std::array<int, 3>>, RI::Tensor<double>>>>& Hexxs);
 
extern template void cal_HR_exx<std::complex<double>>(
    const UnitCell& ucell,
    const Parallel_Orbitals& pv,
    LCAO_HS_Arrays& HS_Arrays,
    const int& current_spin,
    const double& sparse_thr,
    const int (&nmp)[3],
    const std::vector<std::map<int, std::map<std::pair<int, std::array<int, 3>>, RI::Tensor<std::complex<double>>>>>& Hexxs);
 
}
 
#endif // __EXX
#endif // SPARSE_FORMAT_EXX_H