v2DM-DOCI  1.0
OptIndex.h
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1 #ifndef OPTINDEX_H
2 #define OPTINDEX_H
3 
4 #include <vector>
5 
6 #include "Irreps.h"
7 
8 namespace CheMPS2 { class Hamiltonian; }
9 
10 namespace simanneal
11 {
12 
13 class OptIndex
14 {
15  public:
16  OptIndex(const int L, const int Group, const int * NORBin);
18  int getL() const;
19  int getNirreps() const;
20  int getNORB(const int irrep) const;
21  int getNstart(const int irrep) const;
22  const int * get_irrep_each_orbital() const;
23  void Print() const;
24  int getNgroup() const;
25  private:
27  int Nirreps;
28  int L;
29  std::vector<int> NORB;
30  std::vector<int> NORBcumulative;
31  std::vector<int> irrep_each_orbital;
32 };
33 
34 }
35 
36 #endif /* OPTINDEX_H */
CheMPS2::Irreps SymmInfo
Definition: OptIndex.h:26
int getL() const
Definition: OptIndex.cpp:69
const int * get_irrep_each_orbital() const
Definition: OptIndex.cpp:77
OptIndex(const int L, const int Group, const int *NORBin)
Definition: OptIndex.cpp:9
std::vector< int > irrep_each_orbital
Definition: OptIndex.h:31
int getNORB(const int irrep) const
Definition: OptIndex.cpp:73
int getNstart(const int irrep) const
Definition: OptIndex.cpp:75
void Print() const
Definition: OptIndex.cpp:81
int getNgroup() const
Definition: OptIndex.cpp:79
std::vector< int > NORB
Definition: OptIndex.h:29
std::vector< int > NORBcumulative
Definition: OptIndex.h:30
int getNirreps() const
Definition: OptIndex.cpp:71