Inheritance diagram for sc::ShellDataWithValue:

Public Types
template<typename Iterator >
using	with_iterator = BasisElementIteratorDereference< ShellDataWithValue, Iterator >

Public Types inherited from sc::ShellData
template<typename Iterator >
using	with_iterator = BasisElementIteratorDereference< ShellData, Iterator >

Public Member Functions
	ShellDataWithValue (int index, double value, GaussianBasisSet basis, GaussianBasisSet dfbasis, int block_offset=NotAssigned)

	ShellDataWithValue (const ShellData &ish, double value)

Public Member Functions inherited from sc::ShellData
	ShellData (int index, GaussianBasisSet basis, GaussianBasisSet dfbasis=0, int block_offset=NotAssigned)

template<typename Iterator >
	ShellData (const with_iterator< Iterator > &deref)

	operator const int () const

bool	is_generally_contracted ()

Public Member Functions inherited from sc::BasisElementData
	BasisElementData (int index, GaussianBasisSet basis, GaussianBasisSet dfbasis)

bool	operator!= (const BasisElementData &other) const

Public Attributes
double	value

Public Attributes inherited from sc::ShellData
int	bfoff = NotAssigned

int	nbf = NotAssigned

int	atom_bfoff = NotAssigned

int	atom_shoff = NotAssigned

int	atom_nsh = NotAssigned

int	atom_nbf = NotAssigned

int	shoff_in_atom = NotAssigned

int	atom_last_function = NotAssigned

int	atom_last_shell = NotAssigned

int	last_function = NotAssigned

int	am = NotAssigned

int	ncontraction = NotAssigned

union {
int atom_dfshoff = NotAssigned

int atom_obsshoff

};

union {
int atom_dfbfoff = NotAssigned

int atom_obsbfoff

};

union {
int atom_dfnbf = NotAssigned

int atom_obsnbf

};

union {
int atom_dfnsh = NotAssigned

int atom_obsnsh

};

union {
int atom_df_last_function = NotAssigned

int atom_obs_last_function

};

union {
int atom_df_last_shell = NotAssigned

int atom_obs_last_shell

};

int	block_offset = NotAssigned

Public Attributes inherited from sc::BasisElementData
GaussianBasisSet *	basis

GaussianBasisSet *	dfbasis

int	index = NotAssigned

int	center = NotAssigned

int	bfoff_in_atom = NotAssigned

Additional Inherited Members
Static Public Member Functions inherited from sc::ShellData
static int	max_index (GaussianBasisSet *basis)

Protected Member Functions inherited from sc::ShellData
void	init ()

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

Public Types

Public Member Functions