Collaboration diagram for SetupSFNBranch:

Public Member Functions
	SetupSFNBranch (Communicate *comm)

	SetupSFNBranch ()

std::unique_ptr< SFNBranch >	operator() (ParticleSet &pset, TrialWaveFunction &twf, QMCHamiltonian &ham)

Private Member Functions
void	createMyNode (SFNBranch &sfnb, const char *xml)

Private Attributes
Communicate *	comm_

UPtr< EstimatorManagerNew >	emb_

WalkerConfigurations	walker_confs_

UPtr< MCPopulation >	pop_

UPtr< Libxml2Document >	doc_

RealType	tau_ = 1.0

int	num_global_walkers_ = 16

Detailed Description

Definition at line 34 of file test_SFNBranch.cpp.

Constructor & Destructor Documentation

◆ SetupSFNBranch() [1/2]

SetupSFNBranch ( Communicate * comm )

inline

Definition at line 37 of file test_SFNBranch.cpp.

References qmcplusplus::comm.

37 : comm_{comm} {}

qmcplusplus::testing::SetupSFNBranch::comm_

Communicate * comm_

Definition: test_SFNBranch.cpp:69

qmcplusplus::comm

Communicate * comm

Definition: test_EstimatorManagerNew.cpp:50

◆ SetupSFNBranch() [2/2]

SetupSFNBranch ( )

inline

Definition at line 39 of file test_SFNBranch.cpp.

References OHMMS::Controller.

39 : comm_{OHMMS::Controller} {}

qmcplusplus::testing::SetupSFNBranch::comm_

Communicate * comm_

Definition: test_SFNBranch.cpp:69

OHMMS::Controller

Communicate * Controller

Global Communicator for a process.

Definition: Communicate.cpp:35

Member Function Documentation

◆ createMyNode()

void createMyNode	(	SFNBranch &	sfnb,
		const char *	xml
	)

inlineprivate

Definition at line 62 of file test_SFNBranch.cpp.

References SetupSFNBranch::doc_, and qmcplusplus::sfnb.

Referenced by SetupSFNBranch::operator()().

   {
     doc_ = std::make_unique<Libxml2Document>();
     doc_->parseFromString(xml);
     sfnb.put(doc_->getRoot());
   }

◆ operator()()

std::unique_ptr<SFNBranch> operator()	(	ParticleSet &	pset,
		TrialWaveFunction &	twf,
		QMCHamiltonian &	ham
	)

inline

Definition at line 41 of file test_SFNBranch.cpp.

References SetupSFNBranch::comm_, qmcplusplus::convertUPtrToRefVector(), SetupSFNBranch::createMyNode(), qmcplusplus::ham, qmcplusplus::LIMITED_HISTORY, SetupSFNBranch::pop_, qmcplusplus::pset, Communicate::rank(), qmcplusplus::sfnb, SetupSFNBranch::tau_, qmcplusplus::twf, qmcplusplus::testing::valid_dmc_input_dmc_batch_index, qmcplusplus::testing::valid_dmc_input_sections, SetupSFNBranch::walker_confs_, and qmcplusplus::hdf::walkers.

   {
     pop_ = std::make_unique<MCPopulation>(1, comm_->rank(), &pset, &twf, &ham);
     // MCPopulation owns it walkers it cannot just take refs so we just create and then update its walkers.
     pop_->createWalkers(2, walker_confs_);
 
     RefVector<MCPWalker> walkers = convertUPtrToRefVector(pop_->get_walkers());
 
     walkers[0].get().R[0] = 1.0;
     walkers[1].get().R[0] = 0.5;
 
     auto sfnb = std::make_unique<SFNBranch>(tau_, 1.0, DMCRefEnergyScheme::LIMITED_HISTORY);
 
     createMyNode(*sfnb, valid_dmc_input_sections[valid_dmc_input_dmc_batch_index]);
 
     sfnb->initParam(*pop_, 0, 0, false, false);
 
     return sfnb;
   }