db_f12_intermediates.h File Reference
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::f12
 

Functions

template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_V_ijkl_db_df (lcao::LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile , typename Policy >
std::tuple< TA::DistArray< Tile, Policy >, TA::DistArray< Tile, Policy > > mpqc::lcao::f12::compute_V_ixjy_ixyj_db_df (lcao::LCAOFactory< Tile, Policy > &lcao_factory, bool cabs=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_xyab_db_df (lcao::LCAOFactory< Tile, Policy > &lcao_factory)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_iaxy_db_df (lcao::LCAOFactory< Tile, Policy > &lcao_factory)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_X_ijkl_db_df (lcao::LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &ijkl_shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_B_ijkl_db_df (lcao::LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &ijkl_shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT2_ijkl_db_df (lcao::LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &ijkl_shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT1_ijkl_db_df (lcao::LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t1, const TA::SparseShape< float > &ijkl_shape)