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typedef Range | shell_range_t |
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bool | contiguous_ = false |
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Range | shell_range |
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ShellData | first_shell |
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ShellData | last_shell |
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GaussianBasisSet * | basis |
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GaussianBasisSet * | dfbasis |
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int | restrictions |
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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 = NotAssigned |
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int | atom_bfoff = NotAssigned |
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int | atom_shoff = NotAssigned |
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int | atom_nsh = NotAssigned |
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int | atom_nbf = NotAssigned |
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int | bfoff_in_atom = NotAssigned |
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int | shoff_in_atom = NotAssigned |
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int | atom_last_function = NotAssigned |
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int | atom_last_shell = NotAssigned |
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union { |
int atom_dfshoff = NotAssigned |
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int atom_obsshoff |
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}; | |
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union { |
int atom_dfbfoff = NotAssigned |
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int atom_obsbfoff |
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}; | |
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union { |
int atom_dfnbf = NotAssigned |
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int atom_obsnbf |
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}; | |
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union { |
int atom_dfnsh = NotAssigned |
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int atom_obsdfnsh |
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}; | |
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union { |
int atom_df_last_function = NotAssigned |
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int atom_obs_last_function |
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}; | |
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union { |
int atom_df_last_shell = NotAssigned |
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int atom_obs_last_shell |
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}; | |
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The documentation for this class was generated from the following files: