#include <CCStructures.h>
Inheritance diagram for madness::MacroTaskComputeCorrelationEnergy:
Collaboration diagram for madness::MacroTaskComputeCorrelationEnergy:
Public Types | |
| typedef std::tuple< const std::vector< CCPair > &, const CC_vecfunction &, const Info & > | argtupleT |
| typedef std::vector< ScalarResult< double > > | resultT |
| first vector is the potential, second is an intermediate (if applicable, e.g. for s2b and s2c potentials) | |
Public Member Functions | |
| MacroTaskComputeCorrelationEnergy () | |
| resultT | allocator (World &world, const argtupleT &argtuple) const |
| allocate the result and set the name of this task | |
| resultT | operator() (const std::vector< CCPair > &pairs, const CC_vecfunction &singles_gs, const Info &info) const |
 Public Member Functions inherited from madness::MacroTaskOperationBase | |
| MacroTaskOperationBase () | |
Public Attributes | |
| std::string | basename ="CorrelationEnergy" |
| Public Attributes inherited from madness::MacroTaskOperationBase | |
| Batch | batch |
| std::string | name ="unknown_task" |
| std::shared_ptr< MacroTaskPartitioner > | partitioner =0 |
Member Typedef Documentation
◆ argtupleT
| typedef std::tuple< const std::vector<CCPair>&, const CC_vecfunction&, const Info& > madness::MacroTaskComputeCorrelationEnergy::argtupleT |
◆ resultT
| typedef std::vector<ScalarResult<double> > madness::MacroTaskComputeCorrelationEnergy::resultT |
first vector is the potential, second is an intermediate (if applicable, e.g. for s2b and s2c potentials)
Constructor & Destructor Documentation
◆ MacroTaskComputeCorrelationEnergy()
|
inline |
References madness::MacroTaskOperationBase::name.
Member Function Documentation
◆ allocator()
|
inline |
allocate the result and set the name of this task
◆ operator()()
| std::vector< ScalarResult< double > > madness::MacroTaskComputeCorrelationEnergy::operator() | ( | const std::vector< CCPair > & | pairs, |
| const CC_vecfunction & | singles_gs, | ||
| const Info & | info | ||
| ) | const |
References madness::CT_CC2, madness::CT_MP2, function(), MADNESS_EXCEPTION, and madness::World::size().
Member Data Documentation
◆ basename
| std::string madness::MacroTaskComputeCorrelationEnergy::basename ="CorrelationEnergy" |
The documentation for this class was generated from the following files:
