madness::PairVectorMap Struct Reference

#include <CCStructures.h>

Public Member Functions
	PairVectorMap ()=default
	PairVectorMap (const std::vector< std::pair< int, int > > map1)
void	print (const std::string msg="PairVectorMap") const

Static Public Member Functions
static PairVectorMap	quadratic_map (const int nfreeze, const int nocc)
static PairVectorMap	triangular_map (const int nfreeze, const int nocc)

Public Attributes
std::vector< std::pair< int, int > >	map
	maps pair index (i,j) to vector index k

Constructor & Destructor Documentation

PairVectorMap() [1/2]

madness::PairVectorMap::PairVectorMap ( )

default

Referenced by quadratic_map(), and triangular_map().

PairVectorMap() [2/2]

madness::PairVectorMap::PairVectorMap ( const std::vector< std::pair< int, int > > map1 )

inline

References map.

Member Function Documentation

print()

void madness::PairVectorMap::print ( const std::string msg = "PairVectorMap" ) const

inline

References map, and madness::print().

quadratic_map()

PairVectorMap madness::PairVectorMap::quadratic_map ( const int nfreeze, const int nocc )

inlinestatic

< maps pair index (i,j) to vector index k

References PairVectorMap(), and map.

Referenced by madness::MP3::mp3_energy_contribution_macrotask_driver(), and madness::MP3::MacroTaskMP3::operator()().

triangular_map()

PairVectorMap madness::PairVectorMap::triangular_map ( const int nfreeze, const int nocc )

inlinestatic

< maps pair index (i,j) to vector index k

References PairVectorMap(), and map.

Referenced by madness::CCPotentials::compute_cc2_correlation_energy(), madness::CC2::compute_cc2_energy(), madness::MP3::compute_mp3_ef_with_permutational_symmetry(), madness::CC2::iterate_lrcc2_pairs(), madness::CC2::iterate_singles(), madness::MacroTaskSinglesPotentialEx::operator()(), madness::MacroTaskSinglesPotentialGs::operator()(), madness::MP3::MacroTaskMP3::operator()(), and madness::CC2::solve().

Member Data Documentation

map

std::vector<std::pair<int, int> > madness::PairVectorMap::map

maps pair index (i,j) to vector index k

Referenced by PairVectorMap(), madness::MP3::MacroTaskMP3::operator()(), print(), quadratic_map(), and triangular_map().

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

• CCStructures.h