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 &params, 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 
)