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| ShellBlockIterator (GaussianBasisSet *basis, GaussianBasisSet *dfbasis=0) |
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| ShellBlockIterator (int first_index, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, int reqs=SameCenter, int target_size=DEFAULT_TARGET_BLOCK_SIZE) |
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template<typename iterable_like , typename = typename std::enable_if< std::is_base_of<Iterable, typename std::decay<iterable_like>::type>::value && std::is_convertible<iterable_like, Iterable>::value >::type> |
| | ShellBlockIterator (const iterable_like &iterable, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, int reqs=SameCenter, int target_size=DEFAULT_TARGET_BLOCK_SIZE) |
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| ShellBlockIterator (const typename ShellBlockIterator< Iterable >::Skeleton &) |
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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.
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const ShellBlockIterator & | operator* () const |
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static int | max_index (GaussianBasisSet *basis) |
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GaussianBasisSet * | basis |
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GaussianBasisSet * | dfbasis |
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shell_iterable< Iterable > | shell_iter |
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shell_iterable< Iterable >::value_type | first_shell |
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shell_iterable< Iterable >::value_type | last_shell |
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int | nbf |
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int | bfoff |
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int | nshell |
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int | last_function |
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int | center = -1 |
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int | atom_bfoff = -1 |
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int | atom_shoff = -1 |
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int | atom_nsh = -1 |
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int | atom_nbf = -1 |
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int | bfoff_in_atom = -1 |
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int | shoff_in_atom = -1 |
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int | atom_last_function = -1 |
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int | atom_last_shell = -1 |
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int | atom_dfshoff = -1 |
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int | atom_dfbfoff = -1 |
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int | atom_dfnbf = -1 |
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int | atom_dfnsh = -1 |
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int | atom_df_last_function = -1 |
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int | atom_df_last_shell = -1 |
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static constexpr int | NoMaximumBlockSize = -20 |
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shell_iterable< Iterable > | possible_shell_iter |
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int | first_index |
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int | target_size |
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int | reqs |
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The documentation for this class was generated from the following file: