Inheritance diagram for SetupDMCTest:

Collaboration diagram for SetupDMCTest:

Public Member Functions
	SetupDMCTest (int nranks=4)

DMCBatched	operator() ()

Public Member Functions inherited from SetupPools
	SetupPools ()

Public Attributes
WalkerConfigurations	walker_confs

Libxml2Document	doc

xmlNodePtr	node

int	num_ranks

int	num_crowds = 8

QMCDriverInput	qmcdrv_input

DMCDriverInput	dmcdrv_input

Public Attributes inherited from SetupPools
UPtr< ParticleSetPool >	particle_pool

UPtr< WaveFunctionPool >	wavefunction_pool

UPtr< HamiltonianPool >	hamiltonian_pool

Libxml2Document	doc

xmlNodePtr	node

Communicate *	comm

Private Attributes
ProjectData	test_project

Detailed Description

Definition at line 28 of file SetupDMCTest.h.

Constructor & Destructor Documentation

◆ SetupDMCTest()

SetupDMCTest ( int nranks = 4 )

inline

Definition at line 31 of file SetupDMCTest.h.

References SetupDMCTest::num_crowds.

                                : num_ranks(nranks), qmcdrv_input()
   {
     if (Concurrency::maxCapacity<>() < 8)
       num_crowds = Concurrency::maxCapacity<>();
   }

Member Function Documentation

◆ operator()()

DMCBatched operator() ( )

inline

Definition at line 37 of file SetupDMCTest.h.

References SetupPools::comm, SetupDMCTest::dmcdrv_input, SetupDMCTest::doc, Libxml2Document::getRoot(), SetupPools::hamiltonian_pool, SetupDMCTest::node, Libxml2Document::parseFromString(), SetupPools::particle_pool, SetupDMCTest::qmcdrv_input, Communicate::rank(), DMCDriverInput::readXML(), QMCDriverInput::readXML(), Communicate::size(), SetupDMCTest::test_project, qmcplusplus::testing::valid_dmc_input_dmc_batch_index, qmcplusplus::testing::valid_dmc_input_sections, SetupDMCTest::walker_confs, and SetupPools::wavefunction_pool.

   {
     Libxml2Document doc;
     doc.parseFromString(valid_dmc_input_sections[valid_dmc_input_dmc_batch_index]);
     node = doc.getRoot();
 
     qmcdrv_input.readXML(node);
     dmcdrv_input.readXML(node);
 
     QMCDriverInput qmc_input_copy(qmcdrv_input);
     DMCDriverInput dmc_input_copy(dmcdrv_input);
     return {test_project,
             std::move(qmc_input_copy),
             std::nullopt,
             std::move(dmc_input_copy),
             walker_confs,
             MCPopulation(comm->size(), comm->rank(), particle_pool->getParticleSet("e"),
                          wavefunction_pool->getPrimary(), hamiltonian_pool->getPrimary()),
             comm};
   }