MPQC 3.0.0-alpha
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IterableBasisElementData< Iterator, ShellBlockIterator< Iterable > > Class Template Reference
Inheritance diagram for IterableBasisElementData< Iterator, ShellBlockIterator< Iterable > >:
ShellBlockIterator< Iterable >

Public Member Functions

template<typename... Args>
 IterableBasisElementData (const Iterable &index_iter, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, Args &&... args)
 
const self_typeoperator++ ()
 
const ShellBlockIterator< Iterable > & operator* () const
 
const self_typeadvance_to_last_block ()
 
- Public Member Functions inherited from ShellBlockIterator< Iterable >
 ShellBlockIterator (GaussianBasisSet *basis, GaussianBasisSet *dfbasis=0)
 
 ShellBlockIterator (int first_index, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, int reqs=SameCenter, int target_size=DEFAULT_TARGET_BLOCK_SIZE)
 
 ShellBlockIterator (const iterable_like &iterable, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, int reqs=SameCenter, int target_size=DEFAULT_TARGET_BLOCK_SIZE)
 
 ShellBlockIterator (const typename ShellBlockIterator< Iterable >::Skeleton &)
 
bool operator!= (const ShellBlockIterator &other) const
 Note: not a full != operator; just for the purposes of range iteration! Two blocks with the same first index and the same size will compare equal, regardless of whether they contain the same indices.
 
const ShellBlockIteratoroperator* () const
 

Protected Attributes

Iterator spot
 
- Protected Attributes inherited from ShellBlockIterator< Iterable >
shell_iterable< Iterable > possible_shell_iter
 
int first_index
 
int target_size
 
int reqs
 

Additional Inherited Members

- Static Public Member Functions inherited from ShellBlockIterator< Iterable >
static int max_index (GaussianBasisSet *basis)
 
- Public Attributes inherited from ShellBlockIterator< Iterable >
GaussianBasisSet * basis
 
GaussianBasisSet * dfbasis
 
shell_iterable< Iterable > shell_iter
 
shell_iterable< Iterable >::value_type first_shell
 
shell_iterable< Iterable >::value_type last_shell
 
int nbf
 
int bfoff
 
int nshell
 
int last_function
 
int center
 
int atom_bfoff
 
int atom_shoff
 
int atom_nsh
 
int atom_nbf
 
int bfoff_in_atom
 
int shoff_in_atom
 
int atom_last_function
 
int atom_last_shell
 
int atom_dfshoff
 
int atom_dfbfoff
 
int atom_dfnbf
 
int atom_dfnsh
 
int atom_df_last_function
 
int atom_df_last_shell
 
- Static Public Attributes inherited from ShellBlockIterator< Iterable >
static constexpr int NoMaximumBlockSize
 
- Protected Member Functions inherited from ShellBlockIterator< Iterable >
void init ()
 

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

Generated at Wed Sep 25 2024 02:45:31 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.