32 #ifndef _chemistry_qc_cints_primpairs_h 33 #define _chemistry_qc_cints_primpairs_h 35 #include <util/ref/ref.h> 36 #include <chemistry/qc/basis/basis.h> 59 prim_pair_t* prim_pair(
int p1,
int p2)
const {
return prim_pair_ + p1*nprim2_ + p2; };
60 double P(
int p1,
int p2,
int xyz)
const {
return prim_pair_[p1*nprim2_ + p2].P[xyz]; };
61 double gamma(
int p1,
int p2)
const {
return prim_pair_[p1*nprim2_ + p2].gamma; };
62 double ovlp(
int p1,
int p2)
const {
return prim_pair_[p1*nprim2_ + p2].ovlp; };
The base class for all reference counted objects.
Definition: ref.h:194
PrimPairsCints contains primitive pair data.
Definition: primpairs.h:47
Definition: primpairs.h:40