Collaboration diagram for DMCFactoryNew:

Public Member Functions
	DMCFactoryNew (xmlNodePtr cur, const int dmc_mode)

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

Private Attributes
const int	dmc_mode_

xmlNodePtr	input_node_

Detailed Description

Definition at line 26 of file DMCFactoryNew.h.

Constructor & Destructor Documentation

◆ DMCFactoryNew()

DMCFactoryNew	(	xmlNodePtr	cur,
		const int	dmc_mode
	)

inline

Definition at line 33 of file DMCFactoryNew.h.

33 : dmc_mode_(dmc_mode), input_node_(cur) {}

qmcplusplus::DMCFactoryNew::input_node_

xmlNodePtr input_node_

Definition: DMCFactoryNew.h:30

qmcplusplus::DMCFactoryNew::dmc_mode_

const int dmc_mode_

Definition: DMCFactoryNew.h:29

Member Function Documentation

◆ create()

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

create a DMCBatched 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 19 of file DMCFactoryNew.cpp.

References qmcplusplus::app_summary(), qmcplusplus::comm, DMCFactoryNew::dmc_mode_, qmcplusplus::Units::charge::e, DMCFactoryNew::input_node_, DMCDriverInput::readXML(), and QMCDriverInput::readXML().

Referenced by QMCDriverFactory::createQMCDriver().

 {
   app_summary() << "\n========================================"
                    "\n  Reading DMC driver XML input section"
                    "\n========================================"
                 << std::endl;
 
   QMCDriverInput qmcdriver_input;
   DMCDriverInput dmcdriver_input;
   try
   {
     qmcdriver_input.readXML(input_node_);
     dmcdriver_input.readXML(input_node_);
   }
   catch (const std::exception& e)
   {
     throw UniformCommunicateError(e.what());
   }
 
   auto qmc = std::make_unique<DMCBatched>(project_data, std::move(qmcdriver_input), global_emi,
                                           std::move(dmcdriver_input), wc, std::move(pop), comm);
   // This can probably be eliminated completely since we only support PbyP
   qmc->setUpdateMode(dmc_mode_ & 1);
   return qmc;
 }

Member Data Documentation

◆ dmc_mode_

const int dmc_mode_

private

Definition at line 29 of file DMCFactoryNew.h.

Referenced by DMCFactoryNew::create().

◆ input_node_