ExampleHeBuilder Class Reference

Inheritance diagram for ExampleHeBuilder:

Collaboration diagram for ExampleHeBuilder:

Public Member Functions
	ExampleHeBuilder (Communicate *comm, ParticleSet &p, const PSetMap &psets)
std::unique_ptr< WaveFunctionComponent >	buildComponent (xmlNodePtr cur) override
	process a xml node at cur More...
Public Member Functions inherited from WaveFunctionComponentBuilder
	WaveFunctionComponentBuilder (Communicate *comm, ParticleSet &p)
	constructor More...
virtual	~WaveFunctionComponentBuilder ()=default
Public Member Functions inherited from MPIObjectBase
	MPIObjectBase (Communicate *c)
	constructor with communicator More...
int	rank () const
	return the rank of the communicator More...
int	getGroupID () const
	return the group id of the communicator More...
Communicate *	getCommunicator () const
	return myComm More...
Communicate &	getCommRef () const
	return a TEMPORARY reference to Communicate More...
mpi_comm_type	getMPI () const
	return MPI communicator if one wants to use MPI directly More...
bool	is_manager () const
	return true if the rank == 0 More...
const std::string &	getName () const
	return the name More...
void	setName (const std::string &aname)

Private Attributes
const PSetMap &	ptclPool
ParticleSet &	els

Additional Inherited Members
Public Types inherited from WaveFunctionComponentBuilder
using	RealType = WaveFunctionComponent::RealType
using	ValueType = WaveFunctionComponent::ValueType
using	PosType = WaveFunctionComponent::PosType
using	GradType = WaveFunctionComponent::GradType
using	PSetMap = std::map< std::string, const std::unique_ptr< ParticleSet > >
Public Types inherited from MPIObjectBase
using	mpi_comm_type = Communicate::mpi_comm_type
Static Public Attributes inherited from WaveFunctionComponentBuilder
static std::string	wfs_tag = "wavefunction"
	reserved tags for the elements associated with the many-body wavefunctions More...
static std::string	param_tag = "parameter"
	the element name for a parameter More...
static std::string	dtable_tag = "distancetable"
	the element name for a distancetable More...
static std::string	jastrow_tag = "jastrow"
	the element name for jatrow More...
static std::string	detset_tag = "determinantset"
	the element name for a set of Slater determinants, contains 1..* Slater determinants More...
static std::string	sd_tag = "slaterdeterminant"
	the element name for a Slater determinant, contains 1..* determinants More...
static std::string	det_tag = "determinant"
	the element name for a determinant, may contain (0..*) orbital or parameter element More...
static std::string	rn_tag = "determinant_rn"
	the element name for a released node determinant, may contain (0..*) orbital or parameter element More...
static std::string	spo_tag = "psi"
	the element name for single-particle orbital More...
static std::string	sposet_tag = "sposet"
	the element name for single-particle orbital set More...
static std::string	ionorb_tag = "ionwf"
	the element name for an ion wavefunction More...
static std::string	backflow_tag = "backflow"
	the element name for a backflow transformation More...
static std::string	multisd_tag = "multideterminant"
	the element name for a multi slater determinant wavefunction More...
Protected Attributes inherited from WaveFunctionComponentBuilder
ParticleSet &	targetPtcl
	reference to the particle set on which targetPsi is defined More...
xmlNodePtr	myNode
	xmlNode operated by this object More...
Protected Attributes inherited from MPIObjectBase
Communicate *	myComm
	pointer to Communicate More...
std::string	ClassName
	class Name More...
std::string	myName
	name of the object More...

Detailed Description

Definition at line 27 of file ExampleHeBuilder.h.

Constructor & Destructor Documentation

ExampleHeBuilder()

ExampleHeBuilder	(	Communicate *	comm,
		ParticleSet &	p,
		const PSetMap &	psets
	)

Definition at line 23 of file ExampleHeBuilder.cpp.

    : WaveFunctionComponentBuilder(comm, p), ptclPool(psets), els(p)
{}

Member Function Documentation

buildComponent()

std::unique_ptr< WaveFunctionComponent > buildComponent ( xmlNodePtr  cur )

overridevirtual

process a xml node at cur

Implements WaveFunctionComponentBuilder.

Definition at line 27 of file ExampleHeBuilder.cpp.

References OhmmsAttributeSet::add(), APP_ABORT, qmcplusplus::app_error(), ExampleHeBuilder::els, ExampleHeBuilder::ptclPool, and OhmmsAttributeSet::put().

{
  std::string ion_name = "ion0";
  OhmmsAttributeSet oAttrib;
  oAttrib.add(ion_name, "source");
  oAttrib.put(cur);

  auto ion_it = ptclPool.find(ion_name);
  if (ion_it == ptclPool.end())
  {
    app_error() << " Ion particle set not found  = " << ion_name << std::endl;
    APP_ABORT("Ion not found");
  }
  auto WF = std::make_unique<ExampleHeComponent>(*(ion_it->second), els);
  WF->put(cur);
  return WF;
}

Member Data Documentation

els

ParticleSet& els

private

Definition at line 36 of file ExampleHeBuilder.h.

Referenced by ExampleHeBuilder::buildComponent().

ptclPool

const PSetMap& ptclPool

private

Definition at line 35 of file ExampleHeBuilder.h.

Referenced by ExampleHeBuilder::buildComponent().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/ExampleHeBuilder.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/ExampleHeBuilder.cpp