MPQC  3.0.0-alpha
sc::CADFCLHF::ScreeningStatistics::Iteration Struct Reference

Public Member Functions

 Iteration (Iteration &&other)
 
void set_nthread (int nthr)
 
void global_sum (const Ref< MessageGrp > &msg)
 

Public Attributes

accumulate_t K_3c_needed = { 0 }
 
accumulate_t K_3c_needed_fxn = { 0 }
 
accumulate_t K_3c_dist_screened = { 0 }
 
accumulate_t K_3c_dist_screened_fxn = { 0 }
 
accumulate_t K_3c_underestimated = { 0 }
 
accumulate_t K_3c_underestimated_fxn = { 0 }
 
accumulate_t K_3c_perfect = { 0 }
 
accumulate_t K_3c_perfect_fxn = { 0 }
 
accumulate_t K_3c_contract_fxn = { 0 }
 
accumulate_t K_2c_contract_fxn = { 0 }
 
accumulate_t Kt_contract1_fxn = { 0 }
 
accumulate_t Kt_contract2_fxn = { 0 }
 
accumulate_t L3_build_compares = { 0 }
 
ScreeningStatisticsparent
 
ThreadReplicated< std::vector< double > > int_screening_values
 
ThreadReplicated< std::vector< double > > int_actual_values
 
ThreadReplicated< std::vector< double > > int_distance_factors
 
ThreadReplicated< std::vector< double > > int_distances
 
ThreadReplicated< std::vector< std::tuple< int, int, int > > > int_indices
 
ThreadReplicated< std::vector< std::tuple< int, int, int > > > int_ams
 
std::vector< cadf::Histogram2dvalues_hists
 
std::vector< cadf::Histogram2ddistance_hists
 
std::vector< cadf::Histogram2ddistance_noschwarz_hists
 
std::vector< cadf::Histogram2dexponent_ratio_hists
 
std::vector< ull > int_am_counts
 
std::vector< double > int_am_ratio_sums
 
std::vector< double > int_am_ratio_log_sums
 
bool is_first = false
 

The documentation for this struct was generated from the following file:

Generated at Sun Jan 26 2020 23:24:03 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.