#include <TiledArray/tensor/tensor_map.h>
#include <TiledArray/tile_op/noop.h>
#include "mpqc/chemistry/qc/lcao/integrals/integral_builder.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/screen_base.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include "mpqc/math/external/tiledarray/dist_array_vector.h"
#include "mpqc/util/misc/assert.h"

Include dependency graph for 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 E , typename Tile = TA::TensorD, typename Bases >
TA::DistArrayVector< Tile, TA::SparsePolicy >	mpqc::lcao::gaussian::sparse_xyz_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})
	Construct set of sparse integral tensors in parallel. More...

template<typename E , typename Bases , typename Tile = TA::TensorD>
TA::DistArrayVector< Tile, TA::DensePolicy >	mpqc::lcao::gaussian::dense_xyz_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})
	Construct dense integral tensors from sets in parallel. More...

template<typename Tile , typename Policy , typename E , typename Bases >
TA::DistArrayVector< Tile, std::enable_if_t< std::is_same< Policy, TA::DensePolicy >::value, TA::DensePolicy > >	mpqc::lcao::gaussian::xyz_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})

template<typename Tile , typename Policy , typename E , typename Bases >
TA::DistArrayVector< Tile, std::enable_if_t< std::is_same< Policy, TA::SparsePolicy >::value, TA::SparsePolicy > >	mpqc::lcao::gaussian::xyz_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})

template<typename E , typename Tile = TA::TensorD, typename Bases >
TA::DistArray< Tile, TA::SparsePolicy >	mpqc::lcao::gaussian::sparse_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, 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 sparse integral tensors in parallel. More...

template<typename E , typename Tile = TA::TensorD, typename Bases >
TA::DistArray< Tile, TA::DensePolicy >	mpqc::lcao::gaussian::dense_integrals (madness::World &world, ShrPool< E > shr_pool, Bases &&bases, std::shared_ptr< Screener > screen=std::make_shared< Screener >(Screener{}), std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, 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 a dense integral tensor in parallel. More...

template<typename Tile , typename Policy , typename Bases >
TA::DistArray< Tile, typename std::enable_if< std::is_same< Policy, TA::SparsePolicy >::value, TA::SparsePolicy >::type >	mpqc::lcao::gaussian::compute_integrals (madness::World &world, ShrPool< libint2::Engine > &engine, Bases &&bases, std::shared_ptr< Screener > p_screen=std::make_shared< Screener >(Screener{}), std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})

template<typename Tile , typename Policy , typename Bases >
TA::DistArray< Tile, typename std::enable_if< std::is_same< Policy, TA::DensePolicy >::value, TA::DensePolicy >::type >	mpqc::lcao::gaussian::compute_integrals (madness::World &world, ShrPool< libint2::Engine > &engine, Bases &&bases, std::shared_ptr< Screener > p_screen=std::make_shared< Screener >(Screener{}), std::function< Tile(Tile &&)> op=TA::detail::Noop< Tile, Tile, true >{})

Namespaces

Functions