CompositeSPOSetBuilder Struct Reference

Inheritance diagram for CompositeSPOSetBuilder:

Collaboration diagram for CompositeSPOSetBuilder:

Public Member Functions
	CompositeSPOSetBuilder (Communicate *comm, const SPOSetBuilderFactory &factory)
std::unique_ptr< SPOSet >	createSPOSetFromXML (xmlNodePtr cur) override
	create an sposet from xml (legacy) More...
std::unique_ptr< SPOSet >	createSPOSet (xmlNodePtr cur, SPOSetInputInfo &input) override
	create an sposet from a general xml request More...
Public Member Functions inherited from SPOSetBuilder
	SPOSetBuilder (const std::string &type_name, Communicate *comm)
virtual	~SPOSetBuilder ()
void	reserve_states (int nsets=1)
	reserve space for states (usually only one set, multiple for e.g. spin dependent einspline) More...
void	modify_states (int index=0)
	allow modification of state information More...
void	clear_states (int index=0)
	clear state information More...
std::unique_ptr< SPOSet >	createSPOSet (xmlNodePtr cur)
	create an sposet from xml and save the resulting SPOSet More...
std::unique_ptr< SPOSet >	createRotatedSPOSet (xmlNodePtr cur)
	create orbital rotation transformation from xml and save the resulting SPOSet More...
const std::string &	getTypeName () const
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)

Public Attributes
const SPOSetBuilderFactory &	sposet_builder_factory_
	reference to the sposet_builder_factory More...
Public Attributes inherited from SPOSetBuilder
bool	legacy
	whether implementation conforms only to legacy standard More...
std::vector< std::unique_ptr< SPOSetInfo > >	states
	state info of all possible states available in the basis More...

Additional Inherited Members
Public Types inherited from SPOSetBuilder
using	indices_t = std::vector< int >
using	energies_t = std::vector< RealType >
Public Types inherited from QMCTraits
enum	{ DIM = OHMMS_DIM, DIM_VGL = OHMMS_DIM + 2 }
using	QTBase = QMCTypes< OHMMS_PRECISION, DIM >
using	QTFull = QMCTypes< OHMMS_PRECISION_FULL, DIM >
using	RealType = QTBase::RealType
using	ComplexType = QTBase::ComplexType
using	ValueType = QTBase::ValueType
using	PosType = QTBase::PosType
using	GradType = QTBase::GradType
using	TensorType = QTBase::TensorType
using	IndexType = OHMMS_INDEXTYPE
	define other types More...
using	FullPrecRealType = QTFull::RealType
using	FullPrecValueType = QTFull::ValueType
using	PropertySetType = RecordNamedProperty< FullPrecRealType >
	define PropertyList_t More...
using	PtclGrpIndexes = std::vector< std::pair< int, int > >
Public Types inherited from MPIObjectBase
using	mpi_comm_type = Communicate::mpi_comm_type
Protected Attributes inherited from SPOSetBuilder
const std::string	type_name_
	type name of the SPO objects built by this builder. 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 98 of file CompositeSPOSet.h.

Constructor & Destructor Documentation

CompositeSPOSetBuilder()

CompositeSPOSetBuilder ( Communicate *  comm, const SPOSetBuilderFactory &  factory  )

inline

Definition at line 100 of file CompositeSPOSet.h.

      : SPOSetBuilder("Composite", comm), sposet_builder_factory_(factory)
  {}

Member Function Documentation

createSPOSet()

std::unique_ptr< SPOSet > createSPOSet ( xmlNodePtr  cur, SPOSetInputInfo &  input_info  )

overridevirtual

create an sposet from a general xml request

Reimplemented from SPOSetBuilder.

Definition at line 217 of file CompositeSPOSet.cpp.

References CompositeSPOSetBuilder::createSPOSetFromXML().

{
  return createSPOSetFromXML(cur);
}

createSPOSetFromXML()

std::unique_ptr< SPOSet > createSPOSetFromXML ( xmlNodePtr  cur )

overridevirtual

create an sposet from xml (legacy)

Implements SPOSetBuilder.

Definition at line 198 of file CompositeSPOSet.cpp.

References SPOSetBuilderFactory::getSPOSet(), getXMLAttributeValue(), SPOSet::makeClone(), putContent(), and CompositeSPOSetBuilder::sposet_builder_factory_.

Referenced by CompositeSPOSetBuilder::createSPOSet().

{
  std::vector<std::string> spolist;
  putContent(spolist, cur);
  if (spolist.empty())
  {
    return nullptr;
  }

  auto spo_now = std::make_unique<CompositeSPOSet>(getXMLAttributeValue(cur, "name"));
  for (int i = 0; i < spolist.size(); ++i)
  {
    const SPOSet* spo = sposet_builder_factory_.getSPOSet(spolist[i]);
    if (spo)
      spo_now->add(spo->makeClone());
  }
  return (spo_now->size()) ? std::unique_ptr<SPOSet>{std::move(spo_now)} : nullptr;
}

Member Data Documentation

sposet_builder_factory_

const SPOSetBuilderFactory& sposet_builder_factory_

reference to the sposet_builder_factory

Definition at line 110 of file CompositeSPOSet.h.

Referenced by CompositeSPOSetBuilder::createSPOSetFromXML().

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

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