ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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read_wfc_nao.h
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1#ifndef W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_READ_WFC_NAO_H
2#define W_ABACUS_DEVELOP_ABACUS_DEVELOP_SOURCE_MODULE_IO_READ_WFC_NAO_H
3
5#include "source_psi/psi.h"
7
8// mohan add 2010-09-09
9namespace ModuleIO
10{
17void read_wfc_nao_one_data(std::ifstream& ifs, double& data);
18
25void read_wfc_nao_one_data(std::ifstream& ifs, std::complex<double>& data);
26
38template <typename T>
39bool read_wfc_nao(
40 const std::string& global_readin_dir,
41 const Parallel_Orbitals& ParaV,
42 psi::Psi<T>& psid,
43 elecstate::ElecState* const pelec,
44 const std::vector<int> &ik2iktot,
45 const int nkstot,
46 const int nspin,
47 const int skip_band = 0,
48 const int nstep = -1);
49
50} // namespace ModuleIO
51
52#endif
Definition parallel_orbitals.h:9
Definition elecstate.h:15
Definition psi.h:37
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
bool read_wfc_nao(const std::string &global_readin_dir, const Parallel_Orbitals &ParaV, psi::Psi< T > &psid, elecstate::ElecState *const pelec, const std::vector< int > &ik2iktot, const int nkstot, const int nspin, const int skip_band=0, const int nstep=-1)
Reads the wavefunction coefficients from an input file.
Definition read_wfc_nao.cpp:25
void read_wfc_nao_one_data(std::ifstream &ifs, double &data)
Reads a single data value from an input file stream.
Definition read_wfc_nao.cpp:11