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