shell_order.h File Reference

#include <cmath>

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Namespaces
namespace	occ
namespace	occ::gto
	evaluation Gaussian-type orbitals, their derivatives etc.

Enumerations
enum	occ::gto::ShellOrder { occ::gto::Default , occ::gto::Gaussian , occ::gto::Molden }

Functions
template<bool cartesian, ShellOrder order = Default, typename F >
void	occ::gto::iterate_over_shell (F &f, int l)
template<ShellOrder order = Default>
int	occ::gto::shell_index_cartesian (int i, int j, int k, int l)=delete
template<>
int	occ::gto::shell_index_cartesian< ShellOrder::Default > (int i, int j, int k, int l)
template<>
int	occ::gto::shell_index_cartesian< ShellOrder::Gaussian > (int i, int j, int k, int l)
template<ShellOrder order = Default>
int	occ::gto::shell_index_spherical (int l, int m)=delete
template<>
int	occ::gto::shell_index_spherical< ShellOrder::Default > (int l, int m)
template<>
int	occ::gto::shell_index_spherical< ShellOrder::Gaussian > (int l, int m)
template<>
int	occ::gto::shell_index_spherical< ShellOrder::Molden > (int l, int m)