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_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_V_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_X_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &ijkl_shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_X_ijkl (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_C_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_B_ijkl_D_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_B_ijkl_C (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_B_ijkl_D (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_iakl_df (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool pq=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_iakl (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool pq=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_ijab_df (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool reduced_memory=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_ijab (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_V_ijpq (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_C_ijab_df (LCAOFactory< Tile, Policy > &lcao_factory)
 
template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy > mpqc::lcao::f12::compute_C_ijab (LCAOFactory< Tile, Policy > &lcao_factory)
 
template<typename Tile , typename DirectArray >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT2_ijkl_df_direct (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, DirectArray direct_array, bool use_cabs=true)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT2_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, bool use_cabs=true, bool reduced_memory=true)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT2_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, bool use_cabs=true)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT1_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t1, const TA::SparseShape< float > &shape, bool use_cabs=true)
 
template<typename Tile >
TA::DistArray< Tile, TA::SparsePolicy > mpqc::lcao::f12::compute_VT1_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t1, const TA::SparseShape< float > &shape, bool use_cabs=true)
 
template<typename Tile , typename Policy , typename String >
std::tuple< TA::DistArray< Tile, Policy >, TA::DistArray< Tile, Policy > > mpqc::lcao::f12::VX_pqrs_pqsr (const std::string &target_str, LCAOFactory< Tile, Policy > &lcao_factory, const String &p, const String &q, const String &r, const String &s, bool df=true, bool cabs=true)