Psi4
cceom/Local.h
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27 
33 #ifndef _psi_src_bin_cceom_local_h
34 #define _psi_src_bin_cceom_local_h
35 
36 #include <string>
37 
38 namespace psi { namespace cceom {
39 
40 struct Local {
41  int natom;
42  int nso;
43  int nocc;
44  int nvir;
45  int *aostart;
46  int *aostop;
47  int **domain;
48  int **pairdomain;
51  int *weak_pairs;
52  int ghost;
54  double ***V;
55  double ***W;
56  double *eps_occ;
57  double **eps_vir;
58  double cutoff;
59  std::string method;
60  std::string weakp;
61  std::string precon;
64 };
65 
66 }} // namespace psi::cceom
67 
68 #endif // _psi_src_bin_cceom_local_h
int do_singles
Definition: cceom/Local.h:53
int ** pairdomain
Definition: cceom/Local.h:48
int ghost
Definition: cceom/Local.h:52
int * pairdom_nrlen
Definition: cceom/Local.h:50
Definition: cceom/Local.h:40
int * aostop
Definition: cceom/Local.h:46
std::string precon
Definition: cceom/Local.h:61
double ** eps_vir
Definition: cceom/Local.h:57
std::string weakp
Definition: cceom/Local.h:60
double weak_pair_energy
Definition: cceom/Local.h:63
int filter_singles
Definition: cceom/Local.h:62
std::string method
Definition: cceom/Local.h:59
int natom
Definition: cceom/Local.h:41
double * eps_occ
Definition: cceom/Local.h:56
int * pairdom_len
Definition: cceom/Local.h:49
int nocc
Definition: cceom/Local.h:43
double *** W
Definition: cceom/Local.h:55
double *** V
Definition: cceom/Local.h:54
int ** domain
Definition: cceom/Local.h:47
int nvir
Definition: cceom/Local.h:44
int * weak_pairs
Definition: cceom/Local.h:51
int nso
Definition: cceom/Local.h:42
int * aostart
Definition: cceom/Local.h:45
PsiReturnType cceom(SharedWavefunction, Options &)
double cutoff
Definition: cceom/Local.h:58