5 int normalized = 0,
int verbose = 0);
7 std::array<size_t,3> l1, std::array<size_t,3> l2,
double boxlength[3],
double thresh);
Class for a group of atomic orbitals with the same angular momentum and exponents.
Definition: Shell.h:45
double integrate_box_cap(Shell shell1, Shell shell2, std::array< size_t, 3 > l1, std::array< size_t, 3 > l2, double boxlength[3], double thresh)
double boxcap(gto gto1, gto gto2, double boxlength[3], int normalized=0, int verbose=0)
Class for a group of atomic orbitals with the same angular momentum and exponents.
