OneDimGridFactory Struct Reference

Factory class using Singleton pattern. More...

Inheritance diagram for OneDimGridFactory:

Collaboration diagram for OneDimGridFactory:

Public Types
using	GridType = OneDimGridBase< RealType >
	typedef of the one-dimensional grid More...
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 > >

Static Public Member Functions
static std::unique_ptr< GridType >	createGrid (xmlNodePtr cur)
	return a GridType* More...

Detailed Description

Factory class using Singleton pattern.

Definition at line 24 of file OneDimGridFactory.h.

Member Typedef Documentation

GridType

using GridType = OneDimGridBase<RealType>

typedef of the one-dimensional grid

Definition at line 27 of file OneDimGridFactory.h.

Member Function Documentation

createGrid()

std::unique_ptr< OneDimGridFactory::GridType > createGrid ( xmlNodePtr  cur )

static

return a GridType*

Parameters

cur	xmlnode for the grid definition

Definition at line 21 of file OneDimGridFactory.cpp.

References OhmmsAttributeSet::add(), qmcplusplus::app_error(), qmcplusplus::Units::charge::e, LOGMSG, and OhmmsAttributeSet::put().

Referenced by RadialOrbitalSetBuilder< COT >::addGrid().

{
  std::unique_ptr<GridType> agrid;
  RealType ri     = 1e-5;
  RealType rf     = 100.0;
  RealType ascale = -1.0e0;
  RealType astep  = 1.25e-2;
  IndexType npts  = 1001;
  std::string gridType("log");
  std::string gridID("invalid");
  OhmmsAttributeSet radAttrib;
  radAttrib.add(gridType, "type");
  radAttrib.add(npts, "npts");
  radAttrib.add(ri, "ri");
  radAttrib.add(rf, "rf");
  radAttrib.add(ascale, "ascale");
  radAttrib.add(astep, "astep");
  radAttrib.add(ascale, "scale");
  radAttrib.add(astep, "step");
  radAttrib.add(gridID, "id");
  radAttrib.add(gridID, "name");
  radAttrib.add(gridID, "ref");
  if (cur != NULL)
    radAttrib.put(cur);
  if (gridType == "log")
  {
    if (ascale > 0.0)
    {
      LOGMSG("Using log grid with default values: scale = " << ascale << " step = " << astep << " npts = " << npts)
      agrid = std::make_unique<LogGridZero<RealType>>();
      agrid->set(astep, ascale, npts);
    }
    else
    {
      LOGMSG("Using log grid with default values: ri = " << ri << " rf = " << rf << " npts = " << npts)
      if (ri < std::numeric_limits<RealType>::epsilon())
      {
        ri = std::numeric_limits<RealType>::epsilon();
        app_error() << "   LogGrid cannot accept r=0 for the initial point. Using ri=" << ri << std::endl;
      }
      agrid = std::make_unique<LogGrid<RealType>>();
      agrid->set(ri, rf, npts);
    }
  }
  else if (gridType == "linear")
  {
    LOGMSG("Using linear grid with default values: ri = " << ri << " rf = " << rf << " npts = " << npts)
    agrid = std::make_unique<LinearGrid<RealType>>();
    agrid->set(ri, rf, npts);
  }
  else
  {
    throw UniformCommunicateError("Unknown gridtype. Valid settings are \"log\" and \"linear\"\n");
  }
  return agrid;
}

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/OneDimGridFactory.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Numerics/OneDimGridFactory.cpp