ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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spar_exx.h
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1#ifndef SPARSE_FORMAT_EXX_H
2#define SPARSE_FORMAT_EXX_H
3
4#ifdef __EXX
5
6#include <RI/global/Global_Func-2.h>
7#include <RI/ri/Cell_Nearest.h>
8#include <array>
9#include <map>
10#include <vector>
11
15namespace sparse_format
16{
17
18template <typename Tdata>
19void cal_HR_exx(const UnitCell& ucell,
20 const Parallel_Orbitals& pv,
21 LCAO_HS_Arrays& HS_Arrays,
22 const int& current_spin,
23 const double& sparse_thr,
24 const int (&nmp)[3],
25 const std::vector<std::map<int, std::map<std::pair<int, std::array<int, 3>>, RI::Tensor<Tdata>>>>& Hexxs);
26
27}
29#endif
30#endif
Definition LCAO_HS_arrays.hpp:9
Definition parallel_orbitals.h:9
Definition unitcell.h:16
Definition spar_dh.h:13