ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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esolver_of_tddft.h
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1#ifndef ESOLVER_OF_TDDFT_H
2#define ESOLVER_OF_TDDFT_H
3
4#include "esolver_of.h"
6
7namespace ModuleESolver
8{
10{
11 public:
14
15 virtual void runner(UnitCell& ucell, const int istep) override;
16
17 protected:
18 std::vector<std::complex<double>> phi_td; // pphi[i] = ppsi.get_pointer(i), which will be freed in ~Psi().
20};
21} // namespace ModuleESolver
22
23#endif
TDOFDFT.
Definition evolve_ofdft.h:19
Definition esolver_of_tddft.h:10
virtual void runner(UnitCell &ucell, const int istep) override
run energy solver
Definition esolver_of_tddft.cpp:34
std::vector< std::complex< double > > phi_td
Definition esolver_of_tddft.h:18
~ESolver_OF_TDDFT()
Definition esolver_of_tddft.cpp:28
Evolve_OFDFT * evolve_ofdft
Definition esolver_of_tddft.h:19
ESolver_OF_TDDFT()
Definition esolver_of_tddft.cpp:22
Definition opt_test_tools.h:19
Definition unitcell.h:17
The First-Principles (FP) Energy Solver Class.
Definition opt_test_tools.cpp:93