Collaboration diagram for VMCFactoryNew:

Public Member Functions
	VMCFactoryNew (xmlNodePtr cur, const int vmode)

std::unique_ptr< QMCDriverInterface >	create (const ProjectData &project_data, const std::optional< EstimatorManagerInput > &global_emi, WalkerConfigurations &wc, MCPopulation &&pop, SampleStack &samples, Communicate *comm)
	create a VMCBatched driver. More...

Private Attributes
const int	vmc_mode_

xmlNodePtr	input_node_

Detailed Description

Definition at line 30 of file VMCFactoryNew.h.

Constructor & Destructor Documentation

◆ VMCFactoryNew()

VMCFactoryNew	(	xmlNodePtr	cur,
		const int	vmode
	)

inline

Definition at line 38 of file VMCFactoryNew.h.

38 : vmc_mode_(vmode), input_node_(cur) {}

qmcplusplus::VMCFactoryNew::input_node_

xmlNodePtr input_node_

Definition: VMCFactoryNew.h:35

qmcplusplus::VMCFactoryNew::vmc_mode_

const int vmc_mode_

Definition: VMCFactoryNew.h:33

Member Function Documentation

◆ create()

std::unique_ptr< QMCDriverInterface > create	(	const ProjectData &	project_data,
		const std::optional< EstimatorManagerInput > &	global_emi,
		WalkerConfigurations &	wc,
		MCPopulation &&	pop,
		SampleStack &	samples,
		Communicate *	comm
	)

create a VMCBatched driver.

Parameters

[in]	project_data	containing so basic options including DriverVersion and max_cpu_seconds
[in]	global_emi	optional global estimator manager input passed by value to insure copy, a global input should not be consumed by driver.

Definition at line 23 of file VMCFactoryNew.cpp.

References qmcplusplus::app_summary(), qmcplusplus::comm, qmcplusplus::Units::charge::e, VMCFactoryNew::input_node_, VMCDriverInput::readXML(), QMCDriverInput::readXML(), and VMCFactoryNew::vmc_mode_.

Referenced by QMCDriverFactory::createQMCDriver().

 {
   app_summary() << "\n========================================"
                    "\n  Reading VMC driver XML input section"
                    "\n========================================"
                 << std::endl;
 
   QMCDriverInput qmcdriver_input;
   VMCDriverInput vmcdriver_input;
   try
   {
     qmcdriver_input.readXML(input_node_);
     vmcdriver_input.readXML(input_node_);
   }
   catch (const std::exception& e)
   {
     throw UniformCommunicateError(e.what());
   }
 
   std::unique_ptr<QMCDriverInterface> qmc;
 
   if (vmc_mode_ == 0 || vmc_mode_ == 1) //(0,0,0) (0,0,1)
   {
     qmc = std::make_unique<VMCBatched>(project_data, std::move(qmcdriver_input), global_emi, std::move(vmcdriver_input),
                                        wc, std::move(pop), samples, comm);
   }
   else
   {
     throw std::runtime_error("VMCFactoryNew does not support VMC_MODE");
   }
 
   // TODO: I believe this is redundant and could become a bug.
   qmc->setUpdateMode(vmc_mode_ & 1);
   return qmc;
 }

Member Data Documentation

◆ input_node_

xmlNodePtr input_node_

private

Definition at line 35 of file VMCFactoryNew.h.

Referenced by VMCFactoryNew::create().

◆ vmc_mode_