L2RadialPotential Struct Reference

Inheritance diagram for L2RadialPotential:

Collaboration diagram for L2RadialPotential:

Public Types
using	GridType = OneDimGridBase< RealType >
using	RadialPotentialType = OneDimCubicSpline< 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 Member Functions
RealType	evaluate (RealType r)
RealType	evaluate_guard (RealType r)
L2RadialPotential *	makeClone ()

Public Attributes
std::unique_ptr< RadialPotentialType >	vL2
RealType	rcut

Detailed Description

Definition at line 25 of file L2Potential.h.

Member Typedef Documentation

GridType

using GridType = OneDimGridBase<RealType>

Definition at line 27 of file L2Potential.h.

RadialPotentialType

using RadialPotentialType = OneDimCubicSpline<RealType>

Definition at line 28 of file L2Potential.h.

Member Function Documentation

evaluate()

RealType evaluate ( RealType  r )

inline

Definition at line 33 of file L2Potential.h.

References L2RadialPotential::vL2.

Referenced by L2Potential::evaluateD(), and L2Potential::evaluateDK().

{ return vL2->splint(r); }

evaluate_guard()

RealType evaluate_guard ( RealType  r )

inline

Definition at line 35 of file L2Potential.h.

References L2RadialPotential::rcut, and L2RadialPotential::vL2.

  {
    if (r < rcut)
      return vL2->splint(r);
    else
      return 0.0;
  }

makeClone()

L2RadialPotential* makeClone ( )

inline

Definition at line 43 of file L2Potential.h.

References L2RadialPotential::rcut, and L2RadialPotential::vL2.

  {
    auto c = new L2RadialPotential();
    c->vL2.reset(vL2->makeClone());
    c->rcut = rcut;
    return c;
  }

Member Data Documentation

rcut

RealType rcut

Definition at line 31 of file L2Potential.h.

Referenced by L2RadialPotential::evaluate_guard(), and L2RadialPotential::makeClone().

vL2

std::unique_ptr<RadialPotentialType> vL2

Definition at line 30 of file L2Potential.h.

Referenced by L2RadialPotential::evaluate(), L2RadialPotential::evaluate_guard(), and L2RadialPotential::makeClone().

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/L2Potential.h