Psi4
ccresponse/Local.h
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27 
32 #include <string>
33 
34 namespace psi { namespace ccresponse {
35 
36 struct Local {
37  int nso;
38  int nocc;
39  int nvir;
40  int cart;
41  int *aostart;
42  int *aostop;
43  int **domain;
44  int **pairdomain;
47  int *weak_pairs;
48  double ***V;
49  double ***W;
50  double *eps_occ;
51  double **eps_vir;
52  double cutoff;
54  std::string method;
55  std::string weakp;
56  double cphf_cutoff;
57  std::string freeze_core;
58  std::string pairdef;
59 };
60 
61 }} // namespace psi::ccresponse
int ** domain
Definition: ccresponse/Local.h:43
int filter_singles
Definition: ccresponse/Local.h:53
int nvir
Definition: ccresponse/Local.h:39
double *** W
Definition: ccresponse/Local.h:49
int * pairdom_nrlen
Definition: ccresponse/Local.h:46
double * eps_occ
Definition: ccresponse/Local.h:50
std::string method
Definition: ccresponse/Local.h:54
int * aostop
Definition: ccresponse/Local.h:42
int nocc
Definition: ccresponse/Local.h:38
double cphf_cutoff
Definition: ccresponse/Local.h:56
int * aostart
Definition: ccresponse/Local.h:41
int cart
Definition: ccresponse/Local.h:40
int ** pairdomain
Definition: ccresponse/Local.h:44
int nso
Definition: ccresponse/Local.h:37
double ** eps_vir
Definition: ccresponse/Local.h:51
PsiReturnType ccresponse(SharedWavefunction, Options &)
int * weak_pairs
Definition: ccresponse/Local.h:47
std::string freeze_core
Definition: ccresponse/Local.h:57
std::string weakp
Definition: ccresponse/Local.h:55
Definition: ccresponse/Local.h:36
double cutoff
Definition: ccresponse/Local.h:52
double *** V
Definition: ccresponse/Local.h:48
int * pairdom_len
Definition: ccresponse/Local.h:45
std::string pairdef
Definition: ccresponse/Local.h:58