|
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 |
|
GaussianBasisSet * | basis |
|
GaussianBasisSet * | dfbasis |
|
int | index = NotAssigned |
|
int | center = NotAssigned |
|
int | bfoff_in_atom = NotAssigned |
|
The documentation for this struct was generated from the following file:
- src/lib/chemistry/qc/scf/cadf/iters.h