helper class for calculating the MP3 energy contributions More...
Classes | |
| class | Partitioner |
Public Types | |
| typedef std::tuple< const std::vector< int > &, const std::vector< int > &, const std::vector< std::vector< CCPairFunction< double, 6 > > > &, const Info &, const std::vector< std::string > & > | argtupleT |
| using | resultT = ScalarResult< double > |
Public Member Functions | |
| MacroTaskMP3 (const std::string diagram) | |
| resultT | allocator (World &world, const argtupleT &argtuple) const |
| resultT | operator() (const std::vector< int > &ij_vec, const std::vector< int > &j_vec, const std::vector< std::vector< CCPairFunction< double, 6 > > > &pair_square, const Info &info, const std::vector< std::string > &argument) const |
 Public Member Functions inherited from madness::MacroTaskOperationBase | |
| MacroTaskOperationBase () | |
Public Attributes | |
| std::string | diagram ="unknown" |
| Public Attributes inherited from madness::MacroTaskOperationBase | |
| Batch | batch |
| std::string | name ="unknown_task" |
| std::shared_ptr< MacroTaskPartitioner > | partitioner =0 |
Detailed Description
helper class for calculating the MP3 energy contributions
Member Typedef Documentation
◆ argtupleT
| typedef std::tuple< const std::vector<int>&, const std::vector<int>&, const std::vector<std::vector<CCPairFunction<double,6> > >& , const Info&, const std::vector<std::string>& > madness::MP3::MacroTaskMP3::argtupleT |
◆ resultT
Constructor & Destructor Documentation
◆ MacroTaskMP3()
|
inline |
Member Function Documentation
◆ allocator()
|
inline |
References madness::nonlinear_vector_solver(), and madness::MP3::world.
◆ operator()()
|
inline |
References madness::MacroTaskOperationBase::batch, madness::Batch_1D::begin, madness::MP3::compute_mp3_cd(), madness::MP3::compute_mp3_ef(), madness::MP3::compute_mp3_ghij(), madness::MP3::compute_mp3_klmn(), diagram, madness::CCParameters::freeze(), ij(), madness::MP3::info, madness::Batch::input, MADNESS_CHECK, MADNESS_EXCEPTION, madness::Info::mo_ket, madness::nonlinear_vector_solver(), madness::Info::parameters, madness::MacroTaskOperationBase::partitioner, madness::PairVectorMap::quadratic_map(), madness::Info::R_square, madness::Batch::result, madness::Batch_1D::size(), madness::PairVectorMap::triangular_map(), madness::MP3::world, and madness::Function< T, NDIM >::world().
Member Data Documentation
◆ diagram
| std::string madness::MP3::MacroTaskMP3::diagram ="unknown" |
Referenced by MacroTaskMP3(), and operator()().
The documentation for this class was generated from the following file:
