FiniteDiffErrData Class Reference

Information for output of relative error in wavefunction derivatives vs. More...

Inheritance diagram for FiniteDiffErrData:

Collaboration diagram for FiniteDiffErrData:

Public Member Functions
	FiniteDiffErrData ()
bool	put (xmlNodePtr q)

Public Attributes
int	particleIndex
int	gradientComponentIndex
std::string	outputFile

Additional Inherited Members
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 > >

Detailed Description

Information for output of relative error in wavefunction derivatives vs.

finite difference delta.

Definition at line 28 of file WaveFunctionTester.h.

Constructor & Destructor Documentation

FiniteDiffErrData()

FiniteDiffErrData

(

)

Definition at line 2218 of file WaveFunctionTester.cpp.

: particleIndex(0), gradientComponentIndex(0), outputFile("delta.dat") {}

Member Function Documentation

put()

bool put

(

xmlNodePtr

q

)

Definition at line 2220 of file WaveFunctionTester.cpp.

References ParameterSet::add(), FiniteDiffErrData::gradientComponentIndex, FiniteDiffErrData::outputFile, FiniteDiffErrData::particleIndex, ParameterSet::put(), and qmcplusplus::Units::time::s.

Referenced by WaveFunctionTester::put().

{
  ParameterSet param;
  param.add(outputFile, "file");
  param.add(particleIndex, "particle_index");
  param.add(gradientComponentIndex, "gradient_index");
  bool s = param.put(q);
  return s;
}

Member Data Documentation

gradientComponentIndex

int gradientComponentIndex

Definition at line 35 of file WaveFunctionTester.h.

Referenced by FiniteDiffErrData::put(), and WaveFunctionTester::runBasicTest().

outputFile

std::string outputFile

Definition at line 36 of file WaveFunctionTester.h.

Referenced by FiniteDiffErrData::put(), and WaveFunctionTester::runBasicTest().

particleIndex

int particleIndex

Definition at line 34 of file WaveFunctionTester.h.

Referenced by FiniteDiffErrData::put(), and WaveFunctionTester::runBasicTest().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/WaveFunctionTester.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCDrivers/WaveFunctionTester.cpp