task_integral_kernels.cpp File Reference
#include "mpqc/chemistry/qc/lcao/integrals/task_integral_kernels.h"
#include "mpqc/math/groups/petite_list.h"
#include <TiledArray/tensor/tensor_map.h>
#include <libint2/engine.impl.h>
Include dependency graph for task_integral_kernels.cpp:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::gaussian | |
mpqc::lcao::gaussian::detail | |
Functions | |
template __libint2_engine_inline libint2::any | libint2::Engine::enforce_params_type< libint2::detail::default_operator_traits::oper_params_type > (libint2::Operator oper, const libint2::detail::default_operator_traits::oper_params_type ¶ms, bool throw_if_wrong_type) |
const std::vector< Engine::compute2_ptr_type > & | mpqc::lcao::gaussian::detail::libint2_compute2_ptrs (const Engine &engine) |
void | mpqc::lcao::gaussian::detail::compute_screening_statistics (bool onoff) |
bool | mpqc::lcao::gaussian::detail::compute_screening_statistics () |
Variables | |
double | mpqc::lcao::gaussian::detail::integral_engine_precision = 0.0 |
std::shared_ptr< IntegralProfile > | mpqc::lcao::gaussian::detail::total_ints_profile |
profile of all integrals for which compute was considered before screening More... | |
std::shared_ptr< IntegralProfile > | mpqc::lcao::gaussian::detail::computed_ints_profile |
profile of all integrals for which compute was invoked More... | |
std::shared_ptr< IntegralProfile > | mpqc::lcao::gaussian::detail::nonzero_ints_profile |
profile of all integrals for which compute returned nonzero More... | |
std::shared_ptr< IntegralProfile > | mpqc::lcao::gaussian::detail::underscreened_ints_profile |
profile of integrals below the screening threshold that were evaluated More... | |
Function Documentation
◆ libint2::Engine::enforce_params_type< libint2::detail::default_operator_traits::oper_params_type >()
template __libint2_engine_inline libint2::any libint2::Engine::enforce_params_type< libint2::detail::default_operator_traits::oper_params_type > | ( | libint2::Operator | oper, |
const libint2::detail::default_operator_traits::oper_params_type & | params, | ||
bool | throw_if_wrong_type | ||
) |