Public Member Functions
	ShellBlockData (const ShellBlockSkeleton< Range > &)

	ShellBlockData (GaussianBasisSet basis, GaussianBasisSet dfbasis=0)

	ShellBlockData (const ShellData &ish)

	ShellBlockData (Range sh_range, int nshell, int nbf, int requirements)

template<typename OtherRange >
auto	operator+ (const ShellBlockData< OtherRange > &other) -> ShellBlockData< decltype(boost::join(this->shell_range, other.shell_range))>

bool	is_contiguous () const

Static Public Member Functions
static ShellBlockData	atom_block (int atom, GaussianBasisSet basis, GaussianBasisSet dfbasis=0)

static int	max_index (const GaussianBasisSet *basis)

Public Attributes
bool	contiguous_ = false

Range	shell_range

ShellData	first_shell

ShellData	last_shell

GaussianBasisSet *	basis

GaussianBasisSet *	dfbasis

int	restrictions

int	nbf

int	bfoff

int	nshell

int	last_function

int	center = NotAssigned

int	atom_bfoff = NotAssigned

int	atom_shoff = NotAssigned

int	atom_nsh = NotAssigned

int	atom_nbf = NotAssigned

int	bfoff_in_atom = NotAssigned

int	shoff_in_atom = NotAssigned

int	atom_last_function = NotAssigned

int	atom_last_shell = 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_obsdfnsh

};

union {

int atom_df_last_function = NotAssigned

int atom_obs_last_function

};

union {

int atom_df_last_shell = NotAssigned

int atom_obs_last_shell

};

The documentation for this class was generated from the following files:

Public Types

Public Member Functions