28 #ifndef _chemistry_qc_libint2_primpairs_h
29 #define _chemistry_qc_libint2_primpairs_h
31 #include <util/ref/ref.h>
32 #include <chemistry/qc/basis/basis.h>
53 std::vector<unsigned int> shell_to_prim1_;
54 std::vector<unsigned int> shell_to_prim2_;
61 prim_pair_t* prim_pair(
unsigned int p1,
unsigned int p2)
const {
return prim_pair_ + p1*nprim2_ + p2; };
62 double P(
unsigned int p1,
unsigned int p2,
unsigned int xyz)
const {
return prim_pair_[p1*nprim2_ + p2].P[xyz]; };
63 double gamma(
unsigned int p1,
unsigned int p2)
const {
return prim_pair_[p1*nprim2_ + p2].gamma; };
64 double ovlp(
unsigned int p1,
unsigned int p2)
const {
return prim_pair_[p1*nprim2_ + p2].ovlp; };