shell.h File Reference

#include <array>
#include <fmt/core.h>
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <occ/core/point_charge.h>
#include <occ/core/util.h>
#include <vector>

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Classes
struct	occ::gto::Shell
class	occ::gto::AOBasis
struct	fmt::formatter< occ::gto::Shell >
struct	occ::gto::Atom
	Class representing and holding data for an Atom in 3D space. More...

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

Functions
double	occ::gto::gto_norm (int l, double alpha)

Variables
constexpr auto	occ::gto::OCC_MINIMAL_BASIS = "sto-3g"