#include "mpqc/chemistry/qc/lcao/integrals/fwd.h"
#include <libint2/engine.h>
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include <mpqc/util/misc/time.h>
#include "mpqc/chemistry/qc/lcao/integrals/bases_data.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/schwarz.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/screen_base.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include "mpqc/math/groups/petite_list.h"

Include dependency graph for task_integral_kernels.h:

This graph shows which files directly or indirectly include this file:

Classes
class mpqc::lcao::gaussian::detail::IntegralProfile
keeps profile of integral evaluation More...

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

mpqc::lcao

mpqc::lcao::gaussian

mpqc::lcao::gaussian::detail

Typedefs
using mpqc::lcao::gaussian::detail::Engine = libint2::Engine

Functions
void mpqc::lcao::gaussian::detail::compute_screening_statistics (bool onoff)

bool mpqc::lcao::gaussian::detail::compute_screening_statistics ()

void mpqc::lcao::gaussian::detail::set_eng_precision (Engine &eng)

template<typename... Shells>
std::enable_if_t<(std::is_same_v< std::decay_t< Shells >, Shell > &&...), void > mpqc::lcao::gaussian::detail::shell_set (Engine &e, Shells &&...shells)

template<typename... Shells>
std::enable_if_t<(std::is_same_v< std::decay_t< Shells >, Shell > &&...), void > mpqc::lcao::gaussian::detail::shell_set (Engine &e, const libint2::ShellPair *, Shells &&...shells)

const std::vector< Engine::compute2_ptr_type > & mpqc::lcao::gaussian::detail::libint2_compute2_ptrs (const Engine &engine)

template<typename... Shells>
std::enable_if_t<(std::is_same_v< std::decay_t< Shells >, Shell > &&...), void > mpqc::lcao::gaussian::detail::shell_set (Engine &e, const libint2::ShellPair sp0, const libint2::ShellPair sp1, Shells &&...shells)

template<typename Tile >
Tile mpqc::lcao::gaussian::detail::integral_kernel (Engine &eng, typename Tile::range_type &&rng, std::array< ShellVec const *, 2 > shell_ptrs, Screener const &screen, const math::PetiteList &plist, const shellpair_data_accessor_t &bra_shellpair_accessor, const shellpair_data_accessor_t &ket_shellpair_accessor)

template<typename Tile >
Tile mpqc::lcao::gaussian::detail::integral_kernel (Engine &eng, typename Tile::range_type &&rng, std::array< ShellVec const *, 3 > shell_ptrs, Screener const &screen, const math::PetiteList &plist, const shellpair_data_accessor_t &bra_shellpair_accessor, const shellpair_data_accessor_t &ket_shellpair_accessor)

template<typename Tile >
Tile mpqc::lcao::gaussian::detail::integral_kernel (Engine &eng, typename Tile::range_type &&rng, std::array< ShellVec const *, 4 > shell_ptrs, Screener const &screen, const math::PetiteList &plist, const shellpair_data_accessor_t &bra_shellpair_accessor, const shellpair_data_accessor_t &ket_shellpair_accessor)

template<typename Tile , libint2::Operator libint2_oper>
std::array< Tile, libint2::operator_traits< libint2_oper >::nopers > mpqc::lcao::gaussian::detail::integral_kernel (Engine &eng, typename Tile::range_type &&rng, std::array< ShellVec const *, 2 > shell_ptrs, Screener const &screen, const math::PetiteList &plist, const shellpair_data_accessor_t &bra_shellpair_accessor, const shellpair_data_accessor_t &ket_shellpair_accessor)
This computes an `std::array` of integrals for operators that have `nopers` components, e.g. multipole moments, geometrical derivatives, etc. Note that only one tile is computed for each component, and all `nopers` tiles share the same index and range. More...

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Classes

Namespaces

Typedefs

Functions