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Atomic-orbital Based Ab-initio Computation at UStc
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clebsch_gordan_coeff.h
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1#ifndef CLEBSCH_GORDAN_H
2#define CLEBSCH_GORDAN_H
3
8
9namespace ModuleBase
10{
11
13{
14 public:
17
34 static void clebsch_gordan(const int& lli,
38
39 private:
46 static void gen_rndm_r(const int& llx, ModuleBase::Vector3<double>* r);
47
59 static double compute_ap(const int& L,
60 const int& li,
61 const int& lj,
62 const int& llx,
63 const ModuleBase::matrix& ylm,
64 const ModuleBase::matrix& mly);
65};
66
67} // namespace ModuleBase
68
69#endif // CLEBSCH_GORDAN_H
Definition clebsch_gordan_coeff.h:13
static double compute_ap(const int &L, const int &li, const int &lj, const int &llx, const ModuleBase::matrix &ylm, const ModuleBase::matrix &mly)
store the inverse of ylm(ir,lm) in mly(lm,ir)
Definition clebsch_gordan_coeff.cpp:79
static void gen_rndm_r(const int &llx, ModuleBase::Vector3< double > *r)
generate random vector
Definition clebsch_gordan_coeff.cpp:66
static void clebsch_gordan(const int &lli, ModuleBase::realArray &ap, ModuleBase::IntArray &lpx, ModuleBase::IntArray &lpl)
computes Clebsch-Gordan coefficient
Definition clebsch_gordan_coeff.cpp:17
~Clebsch_Gordan()
Definition clebsch_gordan_coeff.cpp:13
Clebsch_Gordan()
Definition clebsch_gordan_coeff.cpp:10
Integer array.
Definition intarray.h:20
3 elements vector
Definition vector3.h:22
Definition matrix.h:19
double float array
Definition realarray.h:21
Definition array_pool.h:6