OneDimCubicSplineLinearGrid< T > Class Template Reference

combined OneDimCubicSpline and LinearGrid OneDimCubicSpline contains OneDimGridBase pointer and calls its virtual function members. More...

Collaboration diagram for OneDimCubicSplineLinearGrid< T >:

Public Member Functions
	OneDimCubicSplineLinearGrid (const OneDimCubicSpline< T > &cublis_spliner)
T	splint (T r) const
	compute the function value at r More...
const auto &	get_m_Y () const
const auto &	get_m_Y2 () const
T	get_first_deriv () const
T	get_const_value () const
T	get_r_min () const
T	get_r_max () const
const auto &	get_X () const
double	get_delta_inv () const

Static Public Member Functions
static T	splint (T r_min, T r_max, const T *X, T delta_inv, const T *m_Y, const T *m_Y2, T first_deriv, T const_value, T r)
	compute the function value at r. More...

Private Attributes
Vector< T, OffloadAllocator< T > >	m_Y_
	data for the function on the grid More...
Vector< T, OffloadAllocator< T > >	m_Y2_
	data for the function on the grid More...
T	first_deriv_
	first derivative for handling r < r_min_ More...
T	const_value_
	const value for handling r > r_max_ More...
T	r_min_
	use spline above r_min_. If below, use first deriv extrapolation More...
T	r_max_
	use spline below r_min_. If above, use const value More...
Vector< T, OffloadAllocator< T > >	X_
	the location of grid points More...
double	delta_inv_
	1/grid space More...

Detailed Description

template<class T>
class qmcplusplus::OneDimCubicSplineLinearGrid< T >

combined OneDimCubicSpline and LinearGrid OneDimCubicSpline contains OneDimGridBase pointer and calls its virtual function members.

This doesn't work well on a GPU. Since the use case is OneDimCubicSpline with LinearGrid. We fuse both classes and avoid any virtual functions. There are two splint functions. The one with one paramemter r is intended for testing or being called on the CPU. The static one with many parameters is intended to be used(inlined) inside a GPU kernel.

Definition at line 29 of file OneDimCubicSplineLinearGrid.h.

Constructor & Destructor Documentation

OneDimCubicSplineLinearGrid()

OneDimCubicSplineLinearGrid ( const OneDimCubicSpline< T > &  cublis_spliner )

inline

Definition at line 32 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::const_value_, OneDimCubicSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimCubicSplineLinearGrid< T >::delta_inv_, OneDimCubicSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimCubicSplineLinearGrid< T >::first_deriv_, OneDimGridFunctor< Td, Tg, CTd, CTg >::grid(), OneDimCubicSpline< Td, Tg, CTd, CTg >::m_Y, OneDimCubicSpline< Td, Tg, CTd, CTg >::m_Y2, OneDimCubicSplineLinearGrid< T >::m_Y2_, OneDimCubicSplineLinearGrid< T >::m_Y_, OneDimCubicSplineLinearGrid< T >::r_max_, OneDimCubicSplineLinearGrid< T >::r_min_, and OneDimCubicSplineLinearGrid< T >::X_.

  {
    auto& grid = dynamic_cast<const LinearGrid<T>&>(cublis_spliner.grid());
    r_min_     = grid.rmin();
    r_max_     = grid.rmax();
    delta_inv_ = grid.DeltaInv;

    const size_t num_points = grid.size();
    X_.resize(num_points);
    for (size_t i = 0; i < num_points; i++)
      X_[i] = *(grid.data() + i);

    first_deriv_ = cublis_spliner.first_deriv;
    const_value_ = cublis_spliner.ConstValue;
    m_Y_.resize(num_points);
    m_Y2_.resize(num_points);
    for (size_t i = 0; i < num_points; i++)
    {
      m_Y_[i]  = cublis_spliner.m_Y[i];
      m_Y2_[i] = cublis_spliner.m_Y2[i];
    }
    X_.updateTo();
    m_Y_.updateTo();
    m_Y2_.updateTo();
  }

Member Function Documentation

get_const_value()

T get_const_value ( ) const

inline

Definition at line 97 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::const_value_.

{ return const_value_; }

get_delta_inv()

double get_delta_inv ( ) const

inline

Definition at line 102 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::delta_inv_.

{ return delta_inv_; }

get_first_deriv()

T get_first_deriv ( ) const

inline

Definition at line 96 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::first_deriv_.

{ return first_deriv_; }

get_m_Y()

const auto& get_m_Y ( ) const

inline

Definition at line 94 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::m_Y_.

{ return m_Y_; }

get_m_Y2()

const auto& get_m_Y2 ( ) const

inline

Definition at line 95 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::m_Y2_.

{ return m_Y2_; }

get_r_max()

T get_r_max ( ) const

inline

Definition at line 100 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::r_max_.

{ return r_max_; }

get_r_min()

T get_r_min ( ) const

inline

Definition at line 99 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::r_min_.

{ return r_min_; }

get_X()

const auto& get_X ( ) const

inline

Definition at line 101 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::X_.

{ return X_; }

splint() [1/2]

T splint ( T  r ) const

inline

compute the function value at r

Definition at line 60 of file OneDimCubicSplineLinearGrid.h.

References OneDimCubicSplineLinearGrid< T >::const_value_, OneDimCubicSplineLinearGrid< T >::delta_inv_, OneDimCubicSplineLinearGrid< T >::first_deriv_, OneDimCubicSplineLinearGrid< T >::m_Y2_, OneDimCubicSplineLinearGrid< T >::m_Y_, OneDimCubicSplineLinearGrid< T >::r_max_, OneDimCubicSplineLinearGrid< T >::r_min_, and OneDimCubicSplineLinearGrid< T >::X_.

  {
    return splint(r_min_, r_max_, X_.data(), delta_inv_, m_Y_.data(), m_Y2_.data(), first_deriv_, const_value_, r);
  }

splint() [2/2]

static T splint ( T  r_min, T  r_max, const T *  X, T  delta_inv, const T *  m_Y, const T *  m_Y2, T  first_deriv, T  const_value, T  r  )

inlinestatic

compute the function value at r.

Need to pass in all the parameters.

Definition at line 68 of file OneDimCubicSplineLinearGrid.h.

References CubicSplineEvaluator< T >::cubicInterpolate(), and qmcplusplus::floor().

  {
    if (r < r_min)
    {
      return m_Y[0] + first_deriv * (r - r_min);
    }
    else if (r >= r_max)
    {
      return const_value;
    }

    const size_t loc = std::floor((r - r_min) * delta_inv);
    const T dist     = r - X[loc];
    const T delta    = X[loc + 1] - X[loc];
    CubicSplineEvaluator<T> eval(dist, delta);
    return eval.cubicInterpolate(m_Y[loc], m_Y[loc + 1], m_Y2[loc], m_Y2[loc + 1]);
  }

Member Data Documentation

const_value_

T const_value_

private

const value for handling r > r_max_

Definition at line 113 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_const_value(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

delta_inv_

double delta_inv_

private

1/grid space

Definition at line 123 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_delta_inv(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

first_deriv_

T first_deriv_

private

first derivative for handling r < r_min_

Definition at line 111 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_first_deriv(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

m_Y2_

Vector<T, OffloadAllocator<T> > m_Y2_

private

data for the function on the grid

Definition at line 109 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_m_Y2(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

m_Y_

Vector<T, OffloadAllocator<T> > m_Y_

private

data for the function on the grid

Definition at line 107 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_m_Y(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

r_max_

T r_max_

private

use spline below r_min_. If above, use const value

Definition at line 119 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_r_max(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

r_min_

T r_min_

private

use spline above r_min_. If below, use first deriv extrapolation

Definition at line 117 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_r_min(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

X_

Vector<T, OffloadAllocator<T> > X_

private

the location of grid points

Definition at line 121 of file OneDimCubicSplineLinearGrid.h.

Referenced by OneDimCubicSplineLinearGrid< T >::get_X(), OneDimCubicSplineLinearGrid< T >::OneDimCubicSplineLinearGrid(), and OneDimCubicSplineLinearGrid< T >::splint().

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

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