sto3g_basis.h File Reference

#include <array>
#include <vector>
#include <occ/qm/shell.h>

Include dependency graph for sto3g_basis.h:

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

Functions
std::vector< Shell >	occ::qm::basis_sets::build_sto3g_shells (const std::vector< occ::core::Atom > &atoms)