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Atomic-orbital Based Ab-initio Computation at UStc
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vsep_pw.h
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1#ifndef VSEP_IN_PW
2#define VSEP_IN_PW
3
8
9#include <vector>
10
11class VSep
12{
13 public:
16
17 void init_vsep(const ModulePW::PW_Basis& rho_basis, const Sep_Cell& sep_cell);
18 void generate_vsep_r(const ModulePW::PW_Basis& rho_basis, const ModuleBase::ComplexMatrix& sf_in, const Sep_Cell& sep_cell);
19
21 std::vector<double> vsep_r;
22
23 private:
24 int nrxx = 0;
25};
26//
27// namespace GlobalC
28// {
29// extern VSep vsep_cell;
30// }
31
32#endif /* ifndef VSEP_IN_PW */
Definition complexmatrix.h:13
Definition matrix.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 sep_cell.h:13
Definition vsep_pw.h:12
void generate_vsep_r(const ModulePW::PW_Basis &rho_basis, const ModuleBase::ComplexMatrix &sf_in, const Sep_Cell &sep_cell)
Definition vsep_pw.cpp:125
std::vector< double > vsep_r
Definition vsep_pw.h:21
ModuleBase::matrix vsep_form
Definition vsep_pw.h:20
int nrxx
Definition vsep_pw.h:24
void init_vsep(const ModulePW::PW_Basis &rho_basis, const Sep_Cell &sep_cell)
Definition vsep_pw.cpp:53