void compute_pair(const GaussianShell &, const GaussianShell &)
Computes the overlap between a given shell pair.
OverlapInt(std::vector< SphericalTransform > &, std::shared_ptr< BasisSet >, std::shared_ptr< BasisSet >, int deriv=0)
Constructor, it assumes you are not computing derivatives by default.
int deriv() const
What order of derivative was requested?