g_tiles_from_ldf.h File Reference
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::pno
 
 mpqc::lcao::pno::detail
 

Functions

SparseMap mpqc::lcao::pno::detail::IJK_pao_unions (PNODataTile const &IJ, IdxMap< 2, PNODataTile > const &pairs, int I, int J, int nI, RowMatrixXd const &Fij_norms, double tcutFIJ)
 
template<typename Tile , typename Policy >
std::pair< RowMatrixXd, std::vector< std::pair< int, int > > > mpqc::lcao::pno::detail::pre_multiply_IJ (TA::DistArray< Tile, Policy > const &Spao, SparseMap const &IJK_pao_unions, PNODataTile const *IJ_pair)
 
RowMatrixXd mpqc::lcao::pno::detail::finish_S (std::pair< RowMatrixXd, std::vector< std::pair< int, int >>> const &tmpS_and_N_starts, PNODataTile const &KJ_pno)
 
template<typename Tile , typename Policy >
IdxMap< 3, RowMatrixXd > mpqc::lcao::pno::detail::pno_overlaps (IdxMap< 2, PNODataTile > &IJ_pairs, TA::DistArray< Tile, Policy > &Spao, TA::DistArray< Tile, Policy > const &Fij, double tcutFIJ, double flattened_pnos=false)