shell.h File Reference

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

Include dependency graph for shell.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::qm::Shell
class	occ::qm::AOBasis
struct	fmt::formatter< occ::qm::Shell >

Namespaces
namespace	occ
namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more

Functions
void	occ::qm::override_basis_set_directory (const std::string &s)
double	occ::qm::gto_norm (int l, double alpha)