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