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Atomic-orbital Based Ab-initio Computation at UStc
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read_wfc_nao.h
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1#ifndef READ_WFC_NAO_H
2#define 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, float& data);
18void read_wfc_nao_one_data(std::ifstream& ifs, double& data);
19
26void read_wfc_nao_one_data(std::ifstream& ifs, std::complex<float>& data);
27void read_wfc_nao_one_data(std::ifstream& ifs, std::complex<double>& data);
28
40template <typename T>
41bool read_wfc_nao(
42 const std::string& global_readin_dir,
43 const Parallel_Orbitals& ParaV,
44 psi::Psi<T>& psid,
47 const std::vector<int> &ik2iktot,
48 const int nkstot,
49 const int nspin,
50 const int skip_band = 0,
51 const int istep = -1);
52
53} // namespace ModuleIO
54
55#endif
Definition matrix.h:19
Definition parallel_orbitals.h:9
Definition psi.h:37
Definition cal_dos.h:9
bool read_wfc_nao(const std::string &global_readin_dir, const Parallel_Orbitals &ParaV, psi::Psi< T > &psid, ModuleBase::matrix &ekb, ModuleBase::matrix &wg, const std::vector< int > &ik2iktot, const int nkstot, const int nspin, const int skip_band=0, const int istep=-1)
Reads the wavefunction coefficients from an input file.
Definition read_wfc_nao.cpp:41
void read_wfc_nao_one_data(std::ifstream &ifs, float &data)
Reads a single data value from an input file stream.
Definition read_wfc_nao.cpp:14