#include <limits>
#include <TiledArray/tile_op/noop.h>
#include "mpqc/chemistry/qc/lcao/integrals/direct_tile.h"
#include "mpqc/chemistry/qc/lcao/integrals/integral_builder.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include "mpqc/util/misc/time.h"

Include dependency graph for direct_task_integrals.h:

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Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

	mpqc::lcao::gaussian

Functions
template<typename Tile = TA::TensorD, typename ComputeTile = Tile, typename Engine = libint2::Engine, typename Bases >
DirectArray< Tile, TA::SparsePolicy >	mpqc::lcao::gaussian::direct_sparse_integrals (madness::World &world, ShrPool< Engine > shr_pool, Bases &&bases, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >(), std::function< shellpair_data_accessor_t(const Basis , const Basis )> make_shellpair_data_accessor={}, std::shared_ptr< const math::PetiteList > plist=math::PetiteList::make_trivial())
	Construct direct integral tensors in parallel with screening. More...

template<typename Tile = TA::TensorD, typename ComputeTile = Tile, typename Engine , typename Idx , typename Bases >
DirectArray< Tile, TA::SparsePolicy >	mpqc::lcao::gaussian::direct_sparse_integrals (madness::World &world, ShrPool< Engine > shr_pool, Bases &&bases, std::vector< std::pair< Idx, float >> const &user_provided_norms, bool user_provided_norms_perelem, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >(), std::function< shellpair_data_accessor_t(const Basis , const Basis )> make_shellpair_data_accessor={}, std::shared_ptr< const math::PetiteList > plist=math::PetiteList::make_trivial())
	Construct direct integral tensors in parallel with screening. More...

template<typename Tile = TA::TensorD, typename ComputeTile = Tile, typename Engine , typename Bases >
DirectArray< Tile, TA::SparsePolicy, Engine >	mpqc::lcao::gaussian::untruncated_direct_sparse_integrals (madness::World &world, ShrPool< Engine > shr_pool, Bases &&bases, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >(), std::function< shellpair_data_accessor_t(const Basis , const Basis )> make_shellpair_data_accessor={}, std::shared_ptr< const math::PetiteList > plist=math::PetiteList::make_trivial())
	Construct direct integral tensors in parallel with screening. More...

template<typename Tile = TA::TensorD, typename ComputeTile = Tile, typename Engine , typename Bases >
DirectArray< Tile, TA::DensePolicy >	mpqc::lcao::gaussian::direct_dense_integrals (madness::World &world, ShrPool< Engine > shr_pool, Bases &&bases, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >(), std::function< shellpair_data_accessor_t(const Basis , const Basis )> make_shellpair_data_accessor={}, std::shared_ptr< const math::PetiteList > plist=math::PetiteList::make_trivial())
	Construct direct dense integral tensors in parallel with screening. More...

template<typename Tile >
DirectArray< Tile, TA::DensePolicy >	mpqc::lcao::gaussian::df_direct_integrals (const TA::DistArray< Tile, TA::DensePolicy > &bra, const TA::DistArray< Tile, TA::DensePolicy > &ket, Formula::Notation notation=Formula::Notation::Chemical)

template<typename Tile >
DirectArray< Tile, TA::SparsePolicy >	mpqc::lcao::gaussian::df_direct_integrals (const TA::DistArray< Tile, TA::SparsePolicy > &bra, const TA::DistArray< Tile, TA::SparsePolicy > &ket, Formula::Notation notation=Formula::Notation::Chemical)

Namespaces

Functions