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Atomic-orbital Based Ab-initio Computation at UStc
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VSep_in_pw.h
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1#ifndef VSEP_IN_PW
2#define VSEP_IN_PW
3
7
8#include <vector>
9
10class VSep
11{
12 public:
15
16 void init_vsep(const ModulePW::PW_Basis& rho_basis, const Sep_Cell& sep_cell);
17 void generate_vsep_r(const ModulePW::PW_Basis& rho_basis, const ModuleBase::ComplexMatrix& sf_in, const Sep_Cell& sep_cell);
18
20 std::vector<double> vsep_r;
21
22 private:
23 int nrxx = 0;
24};
25//
26// namespace GlobalC
27// {
28// extern VSep vsep_cell;
29// }
30
31#endif /* ifndef VSEP_IN_PW */
Definition complexmatrix.h:14
Definition matrix.h:19
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_in_pw.h:11
void generate_vsep_r(const ModulePW::PW_Basis &rho_basis, const ModuleBase::ComplexMatrix &sf_in, const Sep_Cell &sep_cell)
Definition VSep_in_pw.cpp:125
std::vector< double > vsep_r
Definition VSep_in_pw.h:20
ModuleBase::matrix vsep_form
Definition VSep_in_pw.h:19
int nrxx
Definition VSep_in_pw.h:23
void init_vsep(const ModulePW::PW_Basis &rho_basis, const Sep_Cell &sep_cell)
Definition VSep_in_pw.cpp:53