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Atomic-orbital Based Ab-initio Computation at UStc
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ctrl_output_td.h
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1#ifndef CTRL_OUTPUT_TD_H
2#define CTRL_OUTPUT_TD_H
3
12#include "source_psi/psi.h"
15#ifdef __EXX
16#include <RI/global/Tensor.h>
17#endif
18
19namespace ModuleIO
20{
21
22template <typename TR>
23void ctrl_output_td(const UnitCell& ucell,
24 double** rho_save,
25 const ModulePW::PW_Basis* rhopw,
26 const int istep,
27 const psi::Psi<std::complex<double>>* psi,
28 const elecstate::ElecState* pelec,
29 const K_Vectors& kv,
30 const TwoCenterIntegrator* intor,
31 const Parallel_Orbitals* pv,
32 const LCAO_Orbitals& orb,
33 const Velocity_op<TR>* velocity_mat,
34 const Grid_Driver& grid,
35 hamilt::HamiltLCAO<std::complex<double>, TR>* p_hamilt,
36 Record_adj& RA,
37 TD_info* td_p,
38 const Exx_NAO<std::complex<double>>& exx_nao
39 );
40
41} // namespace ModuleIO
42
43#endif // CTRL_OUTPUT_TD_H
Definition setup_exx.h:18
Definition sltk_grid_driver.h:40
Definition klist.h:12
Definition ORB_read.h:18
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition parallel_orbitals.h:9
Definition record_adj.h:12
Definition mock_tdinfo.cpp:4
A class to compute two-center integrals.
Definition two_center_integrator.h:35
Definition unitcell.h:15
Definition velocity_op.h:15
Definition elecstate.h:15
Definition hamilt_lcao.h:33
Definition psi.h:37
Definition input_help.cpp:10
void ctrl_output_td(const UnitCell &ucell, double **rho_save, const ModulePW::PW_Basis *rhopw, const int istep, const psi::Psi< std::complex< double > > *psi, const elecstate::ElecState *pelec, const K_Vectors &kv, const TwoCenterIntegrator *intor, const Parallel_Orbitals *pv, const LCAO_Orbitals &orb, const Velocity_op< TR > *velocity_mat, const Grid_Driver &grid, hamilt::HamiltLCAO< std::complex< double >, TR > *p_hamilt, Record_adj &RA, TD_info *td_p, const Exx_NAO< std::complex< double > > &exx_nao)
Definition ctrl_output_td.cpp:11
Definition exx_lip.h:23