Psi4
cceom/Local.h
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28 
34 #ifndef _psi_src_bin_cceom_local_h
35 #define _psi_src_bin_cceom_local_h
36 
37 #include <string>
38 
39 namespace psi {
40 namespace cceom {
41 
42 struct Local {
43  int natom;
44  int nso;
45  int nocc;
46  int nvir;
47  int *aostart;
48  int *aostop;
49  int **domain;
50  int **pairdomain;
53  int *weak_pairs;
54  int ghost;
56  double ***V;
57  double ***W;
58  double *eps_occ;
59  double **eps_vir;
60  double cutoff;
61  std::string method;
62  std::string weakp;
63  std::string precon;
66 };
67 
68 } // namespace cceom
69 } // namespace psi
70 
71 #endif // _psi_src_bin_cceom_local_h
int do_singles
Definition: cceom/Local.h:55
int ** pairdomain
Definition: cceom/Local.h:50
int ghost
Definition: cceom/Local.h:54
int * pairdom_nrlen
Definition: cceom/Local.h:52
Definition: cceom/Local.h:42
int * aostop
Definition: cceom/Local.h:48
std::string precon
Definition: cceom/Local.h:63
double ** eps_vir
Definition: cceom/Local.h:59
std::string weakp
Definition: cceom/Local.h:62
double weak_pair_energy
Definition: cceom/Local.h:65
int filter_singles
Definition: cceom/Local.h:64
std::string method
Definition: cceom/Local.h:61
int natom
Definition: cceom/Local.h:43
double * eps_occ
Definition: cceom/Local.h:58
int * pairdom_len
Definition: cceom/Local.h:51
int nocc
Definition: cceom/Local.h:45
double *** W
Definition: cceom/Local.h:57
double *** V
Definition: cceom/Local.h:56
int ** domain
Definition: cceom/Local.h:49
int nvir
Definition: cceom/Local.h:46
int * weak_pairs
Definition: cceom/Local.h:53
int nso
Definition: cceom/Local.h:44
int * aostart
Definition: cceom/Local.h:47
PsiReturnType cceom(SharedWavefunction, Options &)
double cutoff
Definition: cceom/Local.h:60