Psi4
ccresponse/Local.h
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28 
33 #include <string>
34 
35 namespace psi {
36 namespace ccresponse {
37 
38 struct Local {
39  int nso;
40  int nocc;
41  int nvir;
42  int cart;
43  int *aostart;
44  int *aostop;
45  int **domain;
46  int **pairdomain;
49  int *weak_pairs;
50  double ***V;
51  double ***W;
52  double *eps_occ;
53  double **eps_vir;
54  double cutoff;
56  std::string method;
57  std::string weakp;
58  double cphf_cutoff;
59  std::string freeze_core;
60  std::string pairdef;
61 };
62 
63 } // namespace ccresponse
64 } // namespace psi
int ** domain
Definition: ccresponse/Local.h:45
int filter_singles
Definition: ccresponse/Local.h:55
int nvir
Definition: ccresponse/Local.h:41
double *** W
Definition: ccresponse/Local.h:51
int * pairdom_nrlen
Definition: ccresponse/Local.h:48
double * eps_occ
Definition: ccresponse/Local.h:52
std::string method
Definition: ccresponse/Local.h:56
int * aostop
Definition: ccresponse/Local.h:44
int nocc
Definition: ccresponse/Local.h:40
double cphf_cutoff
Definition: ccresponse/Local.h:58
int * aostart
Definition: ccresponse/Local.h:43
int cart
Definition: ccresponse/Local.h:42
int ** pairdomain
Definition: ccresponse/Local.h:46
int nso
Definition: ccresponse/Local.h:39
double ** eps_vir
Definition: ccresponse/Local.h:53
PsiReturnType ccresponse(SharedWavefunction, Options &)
int * weak_pairs
Definition: ccresponse/Local.h:49
std::string freeze_core
Definition: ccresponse/Local.h:59
std::string weakp
Definition: ccresponse/Local.h:57
Definition: ccresponse/Local.h:38
double cutoff
Definition: ccresponse/Local.h:54
double *** V
Definition: ccresponse/Local.h:50
int * pairdom_len
Definition: ccresponse/Local.h:47
std::string pairdef
Definition: ccresponse/Local.h:60