C++ (Cpp) Shell::center Examples

Example #1

File: evaluate.hpp Project: asirjoosingh/renorm_gamess

	static void evaluate(const Shell &A, const Shell &B,
			     const Shell &C, const Shell &D,
			     double *Q)  {
	    adapter::rysq::Shell A_(A), B_(B), C_(C), D_(D);
	    //rysq::Quartet<rysq::Shell> quartet(A_, B_, C_, D_);
	    boost::array<Center,4> centers = {{
		    A.center(), B.center(), C.center(), D.center() }};
	    rysq::Eri eri(rysq::Quartet<rysq::Shell>(A_, B_, C_, D_));
	    eri(centers, Q);
	}