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MPQC
3.0.0-alpha
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Public Types | |
| template<typename Iterator > | |
| using | with_iterator = BasisElementIteratorDereference< BasisFunctionData, Iterator > |
Public Member Functions | |
| BasisFunctionData (int idx, GaussianBasisSet *basis, GaussianBasisSet *dfbasis, int block_offset=NotAssigned) | |
| template<typename Iterator > | |
| BasisFunctionData (const with_iterator< Iterator > &deref) | |
| operator const int () const | |
 Public Member Functions inherited from sc::BasisElementData | |
| BasisElementData (int index, GaussianBasisSet *basis, GaussianBasisSet *dfbasis) | |
| bool | operator!= (const BasisElementData &other) const |
Static Public Member Functions | |
| static int | max_index (GaussianBasisSet *basis) |
Public Attributes | |
| int | shell_index = NotAssigned |
| int | shell_bfoff = NotAssigned |
| union { | |
| int bfoff_in_shell = NotAssigned | |
| int off | |
| }; | |
| int | atom_nbf = NotAssigned |
| int | atom_shoff = NotAssigned |
| int | block_offset = NotAssigned |
| int | atom_bfoff = NotAssigned |
| int | bfoff_in_block = NotAssigned |
| union { | |
| int atom_dfnbf = NotAssigned | |
| int atom_obsnbf | |
| }; | |
| union { | |
| int atom_dfshoff = NotAssigned | |
| int atom_obsshoff | |
| }; | |
| union { | |
| int atom_dfbfoff = NotAssigned | |
| int atom_obsbfoff | |
| }; | |
| Public Attributes inherited from sc::BasisElementData | |
| GaussianBasisSet * | basis |
| GaussianBasisSet * | dfbasis |
| int | index = NotAssigned |
| int | center = NotAssigned |
| int | bfoff_in_atom = NotAssigned |
Protected Member Functions | |
| void | init () |