Psi4
ccenergy/Local.h
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28 
34 #ifndef _psi_src_bin_ccenergy_local_h
35 #define _psi_src_bin_ccenergy_local_h
36 
37 #include <string>
38 
39 namespace psi {
40 namespace ccenergy {
41 
42 struct Local {
43  int natom;
44  int nso;
45  int nocc;
46  int nvir;
47  int *aostart;
48  int *aostop;
49  int **domain;
50  int **pairdomain;
53  int *weak_pairs;
54  double ***V;
55  double ***W;
56  double *eps_occ;
57  double **eps_vir;
58  double cutoff;
59  std::string method;
60  std::string weakp;
63  double cphf_cutoff;
65  std::string pairdef;
66 };
67 
68 } // namespace ccenergy
69 } // namespace psi
70 
71 #endif // _psi_src_bin_ccenergy_local_h
double weak_pair_energy
Definition: ccenergy/Local.h:62
double *** W
Definition: ccenergy/Local.h:55
int freeze_core
Definition: ccenergy/Local.h:64
int nso
Definition: ccenergy/Local.h:44
int filter_singles
Definition: ccenergy/Local.h:61
std::string method
Definition: ccenergy/Local.h:59
int natom
Definition: ccenergy/Local.h:43
double ** eps_vir
Definition: ccenergy/Local.h:57
double *** V
Definition: ccenergy/Local.h:54
int * weak_pairs
Definition: ccenergy/Local.h:53
int * aostop
Definition: ccenergy/Local.h:48
double * eps_occ
Definition: ccenergy/Local.h:56
int * aostart
Definition: ccenergy/Local.h:47
int nocc
Definition: ccenergy/Local.h:45
Definition: ccenergy/Local.h:42
int ** domain
Definition: ccenergy/Local.h:49
int * pairdom_len
Definition: ccenergy/Local.h:51
double cutoff
Definition: ccenergy/Local.h:58
std::string pairdef
Definition: ccenergy/Local.h:65
std::string weakp
Definition: ccenergy/Local.h:60
int nvir
Definition: ccenergy/Local.h:46
double cphf_cutoff
Definition: ccenergy/Local.h:63
int * pairdom_nrlen
Definition: ccenergy/Local.h:52
int ** pairdomain
Definition: ccenergy/Local.h:50