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