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Atomic-orbital Based Ab-initio Computation at UStc
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diago_params.h
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1#ifndef DIAGO_PARAMS_H
2#define DIAGO_PARAMS_H
3
5
6namespace hsolver
7{
8
21template <typename T, typename Device>
22void setup_diago_params_pw(const int istep,
23 const int iter,
24 const double ethr,
25 const Input_para& inp);
26
39template <typename T, typename Device>
40void setup_diago_params_sdft(const int istep,
41 const int iter,
42 const double ethr,
43 const Input_para& inp);
44
45} // namespace hsolver
46
47#endif // DIAGO_PARAMS_H
Definition diag_comm_info.h:9
void setup_diago_params_pw(const int istep, const int iter, const double ethr, const Input_para &inp)
Setup diagonalization parameters for PW method.
Definition diago_params.cpp:8
void setup_diago_params_sdft(const int istep, const int iter, const double ethr, const Input_para &inp)
Setup diagonalization parameters for SDFT method.
Definition diago_params.cpp:26
Definition input_parameter.h:12