integral_builder.h File Reference
#include <array>
#include <functional>
#include <memory>
#include <boost/range/iterator_range.hpp>
#include <TiledArray/config.h>
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/util/misc/pool.h"
#include "bases_data.h"
#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include "mpqc/chemistry/qc/lcao/expression/formula.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/screen_base.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integral_kernels.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include "mpqc/math/groups/petite_list.h"
#include "mpqc/util/core/exception.h"
Include dependency graph for integral_builder.h:
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Classes | |
class | mpqc::lcao::gaussian::IntegralBuilder< Tile, ComputeTile, Engine > |
Builds integrals from an array of bases and an integral engine pool. More... | |
class | mpqc::lcao::gaussian::DirectIntegralBuilder< Tile, ComputeTile, Engine > |
struct | mpqc::lcao::gaussian::DFTaskGemm< Tile > |
class | mpqc::lcao::gaussian::DirectDFIntegralBuilder< Tile, Policy > |
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::gaussian | |
Functions | |
template<typename Tile , typename ComputeTile = Tile, typename Engine = libint2::Engine> | |
std::shared_ptr< IntegralBuilder< Tile, ComputeTile, Engine > > | mpqc::lcao::gaussian::make_integral_builder (ShrPool< Engine > shr_epool, const BasisShrVector &bases, std::shared_ptr< Screener > shr_screen, std::function< Tile(ComputeTile &&)> op, 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()) |
Function to make detection of template parameters easier, see IntegralBuilder for details. More... | |
template<typename Tile , typename ComputeTile = Tile, typename Engine = libint2::Engine> | |
std::shared_ptr< DirectIntegralBuilder< Tile, ComputeTile, Engine > > | mpqc::lcao::gaussian::make_direct_integral_builder (madness::World &world, ShrPool< Engine > shr_epool, const BasisShrVector &bases, std::shared_ptr< Screener > shr_screen, std::function< Tile(ComputeTile &&)> op, 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()) |
Function to make detection of template parameters easier, see DirectIntegralBuilder for details. More... | |