MPQC
3.0.0-alpha
|
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 () |