OneDimNumGridFunctor< T > Struct Template Reference

adaptor class to handle a temporary OneDimCubicSpline on a numerical grid. More...

Collaboration diagram for OneDimNumGridFunctor< T >:

Public Types
using	GridType = NumericalGrid< T >
using	FuncType = OneDimCubicSpline< T >

Public Member Functions
	OneDimNumGridFunctor ()
T	r (int i) const
T	operator() (int i) const
T	rmax () const
T	rmin () const
T	splint (T r)
void	put (int npoints, std::istream &fin)
bool	put (xmlNodePtr cur)

Public Attributes
FuncType	myFunc

Detailed Description

template<class T>
struct qmcplusplus::OneDimNumGridFunctor< T >

adaptor class to handle a temporary OneDimCubicSpline on a numerical grid.

Definition at line 27 of file OneDimNumGridFunctor.h.

Member Typedef Documentation

FuncType

using FuncType = OneDimCubicSpline<T>

Definition at line 30 of file OneDimNumGridFunctor.h.

GridType

using GridType = NumericalGrid<T>

Definition at line 29 of file OneDimNumGridFunctor.h.

Constructor & Destructor Documentation

OneDimNumGridFunctor()

OneDimNumGridFunctor ( )

inline

Definition at line 34 of file OneDimNumGridFunctor.h.

References OneDimCubicSpline< Td, Tg, CTd, CTg >::m_grid, and OneDimNumGridFunctor< T >::myFunc.

{ myFunc.m_grid = std::make_unique<GridType>(); }

Member Function Documentation

operator()()

T operator() ( int  i ) const

inline

Definition at line 37 of file OneDimNumGridFunctor.h.

References OneDimNumGridFunctor< T >::myFunc.

{ return myFunc(i); }

put() [1/2]

void put ( int  npoints, std::istream &  fin  )

inline

Definition at line 45 of file OneDimNumGridFunctor.h.

References OneDimCubicSpline< Td, Tg, CTd, CTg >::m_grid, OneDimNumGridFunctor< T >::myFunc, OneDimGridFunctor< Td, Tg, CTd, CTg >::resize(), NumericalGrid< T, CT >::resize(), and OneDimCubicSpline< Td, Tg, CTd, CTg >::spline().

Referenced by ECPotentialBuilder::useSimpleTableFormat().

  {
    auto& myGrid = dynamic_cast<GridType&>(*myFunc.m_grid);
    myGrid.resize(npoints);
    myFunc.resize(npoints);
    for (int j = 0; j < npoints; j++)
    {
      fin >> myGrid(j) >> myFunc(j);
    }
    myGrid.set(myGrid(0), myGrid(npoints - 1), npoints);
    T yprime_i = (myFunc(1) - myFunc(0)) / (myGrid(1) - myGrid(0));
    myFunc.spline(0, yprime_i, npoints - 1, 0.0);
  }

put() [2/2]

bool put ( xmlNodePtr  cur )

inline

Definition at line 59 of file OneDimNumGridFunctor.h.

{ return true; }

r()

T r ( int  i ) const

inline

Definition at line 36 of file OneDimNumGridFunctor.h.

References OneDimCubicSpline< Td, Tg, CTd, CTg >::m_grid, and OneDimNumGridFunctor< T >::myFunc.

Referenced by OneDimNumGridFunctor< T >::splint().

{ return (*myFunc.m_grid)[i]; }

rmax()

T rmax ( ) const

inline

Definition at line 39 of file OneDimNumGridFunctor.h.

References OneDimCubicSpline< Td, Tg, CTd, CTg >::m_grid, and OneDimNumGridFunctor< T >::myFunc.

Referenced by ECPotentialBuilder::useSimpleTableFormat().

{ return myFunc.m_grid->rmax(); }

rmin()

T rmin ( ) const

inline

Definition at line 41 of file OneDimNumGridFunctor.h.

References OneDimCubicSpline< Td, Tg, CTd, CTg >::m_grid, and OneDimNumGridFunctor< T >::myFunc.

{ return myFunc.m_grid->rmin(); }

splint()

T splint ( T  r )

inline

Definition at line 43 of file OneDimNumGridFunctor.h.

References OneDimNumGridFunctor< T >::myFunc, OneDimNumGridFunctor< T >::r(), and OneDimCubicSpline< Td, Tg, CTd, CTg >::splint().

Referenced by ECPotentialBuilder::useSimpleTableFormat().

{ return myFunc.splint(r); }

Member Data Documentation

myFunc

FuncType myFunc

Definition at line 32 of file OneDimNumGridFunctor.h.

Referenced by OneDimNumGridFunctor< T >::OneDimNumGridFunctor(), OneDimNumGridFunctor< T >::operator()(), OneDimNumGridFunctor< T >::put(), OneDimNumGridFunctor< T >::r(), OneDimNumGridFunctor< T >::rmax(), OneDimNumGridFunctor< T >::rmin(), and OneDimNumGridFunctor< T >::splint().

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

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