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Atomic-orbital Based Ab-initio Computation at UStc
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source_lcao
spar_exx.h
Go to the documentation of this file.
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#ifndef SPARSE_FORMAT_EXX_H
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#define SPARSE_FORMAT_EXX_H
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#ifdef __EXX
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#include <RI/global/Global_Func-2.h>
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#include <RI/ri/Cell_Nearest.h>
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#include <array>
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#include <map>
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#include <vector>
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#include "
source_lcao/LCAO_HS_arrays.hpp
"
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#include "
source_basis/module_ao/parallel_orbitals.h
"
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#include "
source_cell/unitcell.h
"
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namespace
sparse_format
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{
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template
<
typename
Tdata>
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void
cal_HR_exx(
const
UnitCell
& ucell,
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const
Parallel_Orbitals
& pv,
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LCAO_HS_Arrays
& HS_Arrays,
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const
int
& current_spin,
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const
double
& sparse_thr,
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const
int
(&nmp)[3],
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const
std::vector<std::map<
int
, std::map<std::pair<
int
, std::array<int, 3>>, RI::Tensor<Tdata>>>>& Hexxs);
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}
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#include "
source_lcao/LCAO_hamilt.hpp
"
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#endif
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#endif
LCAO_HS_arrays.hpp
LCAO_hamilt.hpp
LCAO_HS_Arrays
Definition
LCAO_HS_arrays.hpp:9
Parallel_Orbitals
Definition
parallel_orbitals.h:9
UnitCell
Definition
unitcell.h:16
sparse_format
Definition
spar_dh.h:13
parallel_orbitals.h
unitcell.h
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