Inheritance diagram for ShellData:

Public Member Functions
	DEFINE_PROPERTIES (ShellData, int,((bfoff)(basis->shell_to_function(index);))((nbf)(basis->shell(index).nfunction();))((center)(basis->shell_to_center(index);))((atom_shoff)(basis->shell_on_center(center, 0);))((atom_bfoff)(basis->shell_to_function(atom_shoff);))((atom_nsh)(basis->nshell_on_center(center);))((atom_nbf)(basis->nbasis_on_center(center);))((shoff_in_atom)(index - atom_shoff;))((bfoff_in_atom)(bfoff - atom_bfoff;))((atom_last_function)(atom_bfoff+atom_nbf - 1;))((atom_last_shell)(atom_shoff+atom_nsh - 1;))((last_function)(bfoff+nbf - 1;))(CONDITIONAL_PROPERTIES(dfbasis !=0,((atom_dfshoff)(dfbasis->shell_on_center(center, 0);))((atom_dfbfoff)(dfbasis->shell_to_function(atom_dfshoff);))((atom_dfnsh)(dfbasis->nshell_on_center(center);))((atom_dfnbf)(dfbasis->nbasis_on_center(center);))((atom_df_last_function)(atom_dfbfoff+atom_dfnbf - 1;))((atom_df_last_shell)(atom_dfshoff+atom_dfnsh - 1;)))), init)

	ShellData (int idx, GaussianBasisSet basis, GaussianBasisSet dfbasis=0)

	ShellData (const ShellData &other)

const ShellData &	operator++ ()

void	set_index (int idx)

const ShellData &	operator* () const

ShellData &	operator= (const ShellData &other)

	operator int ()

	operator const int () const

The documentation for this struct was generated from the following file:

Public Member Functions