32 #ifndef _chemistry_qc_cints_int2e_h
33 #define _chemistry_qc_cints_int2e_h
37 #include <util/ref/ref.h>
38 #include <chemistry/qc/basis/basis.h>
39 #include <chemistry/qc/basis/tbint.h>
75 void check_storage_()
const;
87 void transform_contrquartets_(
double *,
double *);
89 void sort_contrquartets_to_shellquartet_(
double *,
double *);
91 void permute_target_(
double *,
double *,
int,
int,
int);
92 void permute_1234_to_1243_(
double *,
double *);
93 void permute_1234_to_2134_(
double *,
double *);
94 void permute_1234_to_2143_(
double *,
double *);
95 void permute_1234_to_3412_(
double *,
double *);
96 void permute_1234_to_3421_(
double *,
double *);
97 void permute_1234_to_4312_(
double *,
double *);
98 void permute_1234_to_4321_(
double *,
double *);
100 void get_nonredundant_ints_(
double *,
double *,
int,
int,
int);
135 if (bs1_==bs2_ && bs1_ == bs3_ && bs1_ == bs4_)
return bs1_;
138 Ref<GaussianBasisSet> basis1() {
return bs1_; }
139 Ref<GaussianBasisSet> basis2() {
return bs2_; }
140 Ref<GaussianBasisSet> basis3() {
return bs3_; }
141 Ref<GaussianBasisSet> basis4() {
return bs4_; }