Wrappers for dispatching to QMCHamiltonian single walker APIs or mw_ APIs. More...

Collaboration diagram for Hdispatcher:

Public Types
using	FullPrecRealType = QMCHamiltonian::FullPrecRealType

Public Member Functions
	Hdispatcher (bool use_batch)

std::vector< FullPrecRealType >	flex_evaluate (const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const

std::vector< FullPrecRealType >	flex_evaluateWithToperator (const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const

std::vector< int >	flex_makeNonLocalMoves (const RefVectorWithLeader< QMCHamiltonian > &ham_list, const RefVectorWithLeader< TrialWaveFunction > &wf_list, const RefVectorWithLeader< ParticleSet > &p_list) const

Private Attributes
bool	use_batch_

Detailed Description

Wrappers for dispatching to QMCHamiltonian single walker APIs or mw_ APIs.

This should be only used by QMC drivers. member function names must match mw_ APIs in QMCHamiltonian

Definition at line 24 of file Hdispatcher.h.

Member Typedef Documentation

◆ FullPrecRealType

using FullPrecRealType = QMCHamiltonian::FullPrecRealType

Definition at line 27 of file Hdispatcher.h.

Constructor & Destructor Documentation

◆ Hdispatcher()

Hdispatcher ( bool use_batch )

Definition at line 19 of file Hdispatcher.cpp.

19 : use_batch_(use_batch) {}

qmcplusplus::Hdispatcher::use_batch_

bool use_batch_

Definition: Hdispatcher.h:44

Member Function Documentation

◆ flex_evaluate()

std::vector< QMCHamiltonian::FullPrecRealType > flex_evaluate	(	const RefVectorWithLeader< QMCHamiltonian > &	ham_list,
		const RefVectorWithLeader< TrialWaveFunction > &	wf_list,
		const RefVectorWithLeader< ParticleSet > &	p_list
	)		const

Definition at line 22 of file Hdispatcher.cpp.

References qmcplusplus::evaluate(), QMCHamiltonian::mw_evaluate(), and Hdispatcher::use_batch_.

 {
   assert(ham_list.size() == p_list.size());
   if (use_batch_)
     return QMCHamiltonian::mw_evaluate(ham_list, wf_list, p_list);
   else
   {
     std::vector<FullPrecRealType> local_energies(ham_list.size());
     for (size_t iw = 0; iw < ham_list.size(); iw++)
       local_energies[iw] = ham_list[iw].evaluate(p_list[iw]);
     return local_energies;
   }
 }

◆ flex_evaluateWithToperator()

std::vector< QMCHamiltonian::FullPrecRealType > flex_evaluateWithToperator	(	const RefVectorWithLeader< QMCHamiltonian > &	ham_list,
		const RefVectorWithLeader< TrialWaveFunction > &	wf_list,
		const RefVectorWithLeader< ParticleSet > &	p_list
	)		const

Definition at line 39 of file Hdispatcher.cpp.

References QMCHamiltonian::mw_evaluateWithToperator(), and Hdispatcher::use_batch_.

 {
   assert(ham_list.size() == p_list.size());
   if (use_batch_)
     return QMCHamiltonian::mw_evaluateWithToperator(ham_list, wf_list, p_list);
   else
   {
     std::vector<FullPrecRealType> local_energies(ham_list.size());
     for (size_t iw = 0; iw < ham_list.size(); iw++)
       local_energies[iw] = ham_list[iw].evaluateWithToperator(p_list[iw]);
     return local_energies;
   }
 }

◆ flex_makeNonLocalMoves()

std::vector< int > flex_makeNonLocalMoves	(	const RefVectorWithLeader< QMCHamiltonian > &	ham_list,
		const RefVectorWithLeader< TrialWaveFunction > &	wf_list,
		const RefVectorWithLeader< ParticleSet > &	p_list
	)		const

Definition at line 56 of file Hdispatcher.cpp.

References QMCHamiltonian::mw_makeNonLocalMoves(), and Hdispatcher::use_batch_.

 {
   assert(ham_list.size() == p_list.size());
   if (use_batch_)
     return QMCHamiltonian::mw_makeNonLocalMoves(ham_list, wf_list, p_list);
   else
   {
     std::vector<int> num_accepts(ham_list.size());
     for (size_t iw = 0; iw < ham_list.size(); iw++)
       num_accepts[iw] = ham_list[iw].makeNonLocalMoves(p_list[iw]);
     return num_accepts;
   }
 }

Member Data Documentation

◆ use_batch_

bool use_batch_

private

Definition at line 44 of file Hdispatcher.h.

Referenced by Hdispatcher::flex_evaluate(), Hdispatcher::flex_evaluateWithToperator(), and Hdispatcher::flex_makeNonLocalMoves().

The documentation for this class was generated from the following files:

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/Hdispatcher.h
/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/Hdispatcher.cpp

Public Types

Public Member Functions

Private Attributes