QMCPACK
Public Types | Public Member Functions | Public Attributes | Private Member Functions | List of all members
OneDimQuinticSpline< Td, Tg, CTd, CTg > Class Template Reference
+ Inheritance diagram for OneDimQuinticSpline< Td, Tg, CTd, CTg >:
+ Collaboration diagram for OneDimQuinticSpline< Td, Tg, CTd, CTg >:

Public Types

using base_type = OneDimGridFunctor< Td, Tg, CTd, CTg >
 
using value_type = typename base_type::value_type
 
using point_type = typename base_type::point_type
 
using data_type = typename base_type::data_type
 
using grid_type = typename base_type::grid_type
 
- Public Types inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
using value_type = Td
 the type of the value on a grid More...
 
using point_type = Tg
 the type of the grid value More...
 
using data_type = CTd
 the type of the containers Y, dY and d2Y More...
 
using grid_type = OneDimGridBase< Tg, CTg >
 the grid type More...
 
using this_type = OneDimGridFunctor< Td, Tg, CTd, CTg >
 the type of this class More...
 

Public Member Functions

 OneDimQuinticSpline (std::unique_ptr< grid_type > gt=std::unique_ptr< grid_type >())
 
template<class VV >
 OneDimQuinticSpline (std::unique_ptr< grid_type > gt, const VV &nv)
 
void set (Vector< Td > &data)
 
OneDimQuinticSpline< Td, Tg, CTd, CTg > * makeClone () const
 
 OneDimQuinticSpline (const OneDimQuinticSpline< Td, Tg, CTd, CTg > &a)
 
value_type splint (point_type r) const override
 
value_type splint (point_type r, value_type &du, value_type &d2u) const override
 
value_type splint (point_type r, value_type &du, value_type &d2u, value_type &d3u) const
 
void spline (int imin, value_type yp1, int imax, value_type ypn) override
 
void spline () override
 
- Public Member Functions inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
 OneDimGridFunctor (std::unique_ptr< grid_type > gt=std::unique_ptr< grid_type >())
 constructor More...
 
 OneDimGridFunctor (const OneDimGridFunctor &a)
 
virtual ~OneDimGridFunctor ()=default
 
template<typename TT >
void resetParameters (const TT &active)
 
void setNumOfNodes (int n)
 set the number of nodes More...
 
int getNumOfNodes () const
 return the number of nodes More...
 
value_type * data ()
 return the grid data More...
 
const value_type * data () const
 assign the grid data More...
 
int size () const
 return the number of data points More...
 
void resize (int n)
 resize the number of data points More...
 
const grid_type & grid () const
 return the radial grid More...
 
grid_type & grid ()
 assign a radial grid More...
 
value_type operator() (int i) const
 returns a value More...
 
value_type & operator() (int i)
 asign a value at i More...
 
point_type dh () const
 return the address of the values More...
 
point_type r (int i) const
 return $r(i)$ the grid point at index i More...
 
point_type dr (int i) const
 return $r(i+1)-r(i)$ More...
 
value_type f (point_type r)
 Evaluate the function and its derivatives, store the derivatives. More...
 
value_type df (point_type r)
 Evaluate the function and its derivatives, store the derivatives. More...
 
value_type evaluate (point_type r, point_type rinv)
 Evaluate the function value only. More...
 
value_type evaluateAll (point_type r, point_type rinv)
 Evaluate the function and its derivatives. More...
 
value_type evaluate (point_type r, point_type rinv, value_type &du, value_type &d2u)
 Evaluate the function and its derivatives. More...
 

Public Attributes

data_type m_Y2
 
data_type B
 
data_type D
 
data_type E
 
data_type F
 
point_type r_min
 
point_type r_max
 
value_type first_deriv
 
value_type last_deriv
 
value_type ConstValue
 
value_type d2Y
 store the second derivative of the function More...
 
value_type dY
 store the derivative of the function More...
 
std::unique_ptr< grid_type > m_grid
 pointer to the radial grid More...
 
data_type m_Y
 data for the function on the grid More...
 
value_type Y
 store the value of the function More...
 
int NumNodes
 the number of nodes More...
 
- Public Attributes inherited from OneDimGridFunctor< Td, Tg, CTd, CTg >
std::unique_ptr< grid_type > m_grid
 pointer to the radial grid More...
 
value_type Y
 store the value of the function More...
 
value_type dY
 store the derivative of the function More...
 
value_type d2Y
 store the second derivative of the function More...
 
data_type m_Y
 data for the function on the grid More...
 
int NumNodes
 the number of nodes More...
 

Private Member Functions

Td quinticInterpolate (Td cL, Td a, Td b, Td c, Td d, Td e, Td f) const
 
Td quinticInterpolateSecondDeriv (Td cL, Td a, Td b, Td c, Td d, Td e, Td f, Td &du, Td &d2u) const
 
Td quinticInterpolateThirdDeriv (Td cL, Td a, Td b, Td c, Td d, Td e, Td f, Td &du, Td &d2u, Td &d3u) const
 

Detailed Description

template<class Td, class Tg = Td, class CTd = Vector<Td>, class CTg = Vector<Tg>>
class qmcplusplus::OneDimQuinticSpline< Td, Tg, CTd, CTg >

Definition at line 28 of file OneDimQuinticSpline.h.

Member Typedef Documentation

◆ base_type

using base_type = OneDimGridFunctor<Td, Tg, CTd, CTg>

Definition at line 31 of file OneDimQuinticSpline.h.

◆ data_type

using data_type = typename base_type::data_type

Definition at line 34 of file OneDimQuinticSpline.h.

◆ grid_type

using grid_type = typename base_type::grid_type

Definition at line 35 of file OneDimQuinticSpline.h.

◆ point_type

using point_type = typename base_type::point_type

Definition at line 33 of file OneDimQuinticSpline.h.

◆ value_type

using value_type = typename base_type::value_type

Definition at line 32 of file OneDimQuinticSpline.h.

Constructor & Destructor Documentation

◆ OneDimQuinticSpline() [1/3]

OneDimQuinticSpline ( std::unique_ptr< grid_type >  gt = std::unique_ptr<grid_type>())
inline

Definition at line 57 of file OneDimQuinticSpline.h.

57 : base_type(std::move(gt)) {}
qmcplusplus::OneDimQuinticSpline::base_type
OneDimGridFunctor< Td, Tg, CTd, CTg > base_type
Definition: OneDimQuinticSpline.h:31

◆ OneDimQuinticSpline() [2/3]

OneDimQuinticSpline ( std::unique_ptr< grid_type >  gt,
const VV &  nv 
)
inline

Definition at line 60 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, copy(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, and qmcplusplus::n.

61  : base_type(std::move(gt)), first_deriv(0.0), last_deriv(0.0)
62  {
63  int n = nv.size();
64  m_Y.resize(nv.size());
65  m_Y2.resize(nv.size());
66  std::copy(nv.begin(), nv.end(), m_Y.data());
67  B.resize(n);
68  D.resize(n);
69  E.resize(n);
70  F.resize(n);
71  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
qmcplusplus::OneDimQuinticSpline::base_type
OneDimGridFunctor< Td, Tg, CTd, CTg > base_type
Definition: OneDimQuinticSpline.h:31
copy
void copy(const Array< T1, 3 > &src, Array< T2, 3 > &dest)
Definition: Blitz.h:639

◆ OneDimQuinticSpline() [3/3]

OneDimQuinticSpline ( const OneDimQuinticSpline< Td, Tg, CTd, CTg > &  a)
inline

Definition at line 87 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimQuinticSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimQuinticSpline< Td, Tg, CTd, CTg >::last_deriv, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_max, and OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_min.

88  : OneDimGridFunctor<Td, Tg, CTd, CTg>(a)
89  {
90  m_Y2.resize(a.m_Y2.size());
91  m_Y2 = a.m_Y2;
92  ConstValue = a.ConstValue;
93  r_min = a.r_min;
94  r_max = a.r_max;
95  first_deriv = a.first_deriv;
96  last_deriv = a.last_deriv;
97  B.resize(a.B.size());
98  B = a.B;
99  D.resize(a.D.size());
100  D = a.D;
101  E.resize(a.E.size());
102  E = a.E;
103  F.resize(a.F.size());
104  F = a.F;
105  }

Member Function Documentation

◆ makeClone()

OneDimQuinticSpline<Td, Tg, CTd, CTg>* makeClone ( ) const
inline

Definition at line 85 of file OneDimQuinticSpline.h.

85 { return new OneDimQuinticSpline<Td, Tg, CTd, CTg>(*this); }

◆ quinticInterpolate()

Td quinticInterpolate ( Td  cL,
Td  a,
Td  b,
Td  c,
Td  d,
Td  e,
Td  f 
) const
inlineprivate

Definition at line 108 of file OneDimQuinticSpline.h.

References qmcplusplus::Units::charge::e, and OneDimGridFunctor< Td, Tg, CTd, CTg >::f().

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

109  {
110  return a + cL * (b + cL * (c + cL * (d + cL * (e + cL * f))));
111  }
qmcplusplus::OneDimGridFunctor::f
value_type f(point_type r)
Evaluate the function and its derivatives, store the derivatives.
Definition: OneDimGridFunctor.h:129

◆ quinticInterpolateSecondDeriv()

Td quinticInterpolateSecondDeriv ( Td  cL,
Td  a,
Td  b,
Td  c,
Td  d,
Td  e,
Td  f,
Td &  du,
Td &  d2u 
) const
inlineprivate

Definition at line 113 of file OneDimQuinticSpline.h.

References qmcplusplus::Units::charge::e, and OneDimGridFunctor< Td, Tg, CTd, CTg >::f().

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

114  {
115  du = b + cL * (2.0 * c + cL * (3.0 * d + cL * (4.0 * e + cL * f * 5.0)));
116  d2u = 2.0 * c + cL * (6.0 * d + cL * (12.0 * e + cL * f * 20.0));
117  return a + cL * (b + cL * (c + cL * (d + cL * (e + cL * f))));
118  }
qmcplusplus::OneDimGridFunctor::f
value_type f(point_type r)
Evaluate the function and its derivatives, store the derivatives.
Definition: OneDimGridFunctor.h:129

◆ quinticInterpolateThirdDeriv()

Td quinticInterpolateThirdDeriv ( Td  cL,
Td  a,
Td  b,
Td  c,
Td  d,
Td  e,
Td  f,
Td &  du,
Td &  d2u,
Td &  d3u 
) const
inlineprivate

Definition at line 120 of file OneDimQuinticSpline.h.

References qmcplusplus::Units::charge::e, and OneDimGridFunctor< Td, Tg, CTd, CTg >::f().

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

121  {
122  du = b + cL * (2.0 * c + cL * (3.0 * d + cL * (4.0 * e + cL * f * 5.0)));
123  d2u = 2.0 * c + cL * (6.0 * d + cL * (12.0 * e + cL * f * 20.0));
124  d3u = 6.0 * d + cL * (24.0 * e + cL * f * 60.0);
125  return a + cL * (b + cL * (c + cL * (d + cL * (e + cL * f))));
126  }
qmcplusplus::OneDimGridFunctor::f
value_type f(point_type r)
Evaluate the function and its derivatives, store the derivatives.
Definition: OneDimGridFunctor.h:129

◆ set()

void set ( Vector< Td > &  data)
inline

Definition at line 73 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimGridFunctor< Td, Tg, CTd, CTg >::data(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, and qmcplusplus::n.

Referenced by qmcplusplus::TEST_CASE().

74  {
75  int n = data.size();
76  m_Y.resize(n);
77  m_Y = data;
78  m_Y2.resize(n);
79  B.resize(n);
80  D.resize(n);
81  E.resize(n);
82  F.resize(n);
83  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
qmcplusplus::OneDimGridFunctor::data
value_type * data()
return the grid data
Definition: OneDimGridFunctor.h:83

◆ spline() [1/2]

void spline ( int  imin,
value_type  yp1,
int  imax,
value_type  ypn 
)
inlineoverridevirtual

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 175 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimQuinticSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimQuinticSpline< Td, Tg, CTd, CTg >::last_deriv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, QuinticSplineSolve(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_max, OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_min, and OneDimGridFunctor< Td, Tg, CTd, CTg >::size().

Referenced by qmcplusplus::applyCuspCorrection().

176  {
177  first_deriv = yp1;
178  last_deriv = ypn;
179  r_min = m_grid->r(imin);
180  r_max = m_grid->r(imax);
181  int npts(this->size());
182  m_Y2.resize(npts);
183  B.resize(npts);
184  D.resize(npts);
185  E.resize(npts);
186  F.resize(npts);
187  m_Y2 = 0.0;
188  B = 0.0;
189  D = 0.0;
190  E = 0.0;
191  F = 0.0;
192  QuinticSplineSolve(npts - imin, m_grid->data() + imin, m_Y.data() + imin, B.data() + imin, m_Y2.data() + imin,
193  D.data() + imin, E.data() + imin, F.data() + imin);
194  ConstValue = m_Y[imax];
195  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
QuinticSplineSolve
void QuinticSplineSolve(int N, const Tg *X, T *Y, T *B, T *C, T *D, T *E, T *F)
template function: note that the range of data is [0,n) instead of [1,n] solve the linear system for ...
Definition: SplineSolvers.h:78
qmcplusplus::OneDimGridFunctor::size
int size() const
return the number of data points
Definition: OneDimGridFunctor.h:87
qmcplusplus::OneDimGridFunctor::m_grid
std::unique_ptr< grid_type > m_grid
pointer to the radial grid
Definition: OneDimGridFunctor.h:184

◆ spline() [2/2]

void spline ( )
inlineoverridevirtual

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 197 of file OneDimQuinticSpline.h.

References OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, and OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline().

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline().

197 { spline(0, 0.0, m_grid->size() - 1, 0.0); }
qmcplusplus::OneDimGridFunctor::m_grid
std::unique_ptr< grid_type > m_grid
pointer to the radial grid
Definition: OneDimGridFunctor.h:184

◆ splint() [1/3]

value_type splint ( point_type  r) const
inlineoverridevirtual

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 129 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimQuinticSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolate(), OneDimGridFunctor< Td, Tg, CTd, CTg >::r(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_max, and OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_min.

130  {
131  if (r < r_min)
132  {
133  return m_Y[0] + first_deriv * (r - r_min);
134  }
135  else if (r >= r_max)
136  {
137  return ConstValue;
138  }
139  Td cL;
140  int Loc = m_grid->getIndexAndDistanceFromGridPoint(r, cL);
141  return quinticInterpolate(cL, m_Y[Loc], B[Loc], m_Y2[Loc], D[Loc], E[Loc], F[Loc]);
142  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
qmcplusplus::OneDimGridFunctor::r
point_type r(int i) const
return the grid point at index i
Definition: OneDimGridFunctor.h:121
qmcplusplus::OneDimQuinticSpline::quinticInterpolate
Td quinticInterpolate(Td cL, Td a, Td b, Td c, Td d, Td e, Td f) const
Definition: OneDimQuinticSpline.h:108
qmcplusplus::OneDimGridFunctor::m_grid
std::unique_ptr< grid_type > m_grid
pointer to the radial grid
Definition: OneDimGridFunctor.h:184

◆ splint() [2/3]

value_type splint ( point_type  r,
value_type &  du,
value_type &  d2u 
) const
inlineoverridevirtual

Reimplemented from OneDimGridFunctor< Td, Tg, CTd, CTg >.

Definition at line 145 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimQuinticSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolateSecondDeriv(), OneDimGridFunctor< Td, Tg, CTd, CTg >::r(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_max, and OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_min.

146  {
147  if (r < r_min)
148  {
149  return m_Y[0] + first_deriv * (r - r_min);
150  }
151  else if (r >= r_max)
152  {
153  return ConstValue;
154  }
155  Td cL;
156  int Loc = m_grid->getIndexAndDistanceFromGridPoint(r, cL);
157  return quinticInterpolateSecondDeriv(cL, m_Y[Loc], B[Loc], m_Y2[Loc], D[Loc], E[Loc], F[Loc], du, d2u);
158  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
qmcplusplus::OneDimGridFunctor::r
point_type r(int i) const
return the grid point at index i
Definition: OneDimGridFunctor.h:121
qmcplusplus::OneDimQuinticSpline::quinticInterpolateSecondDeriv
Td quinticInterpolateSecondDeriv(Td cL, Td a, Td b, Td c, Td d, Td e, Td f, Td &du, Td &d2u) const
Definition: OneDimQuinticSpline.h:113
qmcplusplus::OneDimGridFunctor::m_grid
std::unique_ptr< grid_type > m_grid
pointer to the radial grid
Definition: OneDimGridFunctor.h:184

◆ splint() [3/3]

value_type splint ( point_type  r,
value_type &  du,
value_type &  d2u,
value_type &  d3u 
) const
inline

Definition at line 160 of file OneDimQuinticSpline.h.

References OneDimQuinticSpline< Td, Tg, CTd, CTg >::B, OneDimQuinticSpline< Td, Tg, CTd, CTg >::ConstValue, OneDimQuinticSpline< Td, Tg, CTd, CTg >::D, OneDimQuinticSpline< Td, Tg, CTd, CTg >::E, OneDimQuinticSpline< Td, Tg, CTd, CTg >::F, OneDimQuinticSpline< Td, Tg, CTd, CTg >::first_deriv, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_grid, OneDimGridFunctor< Td, Tg, CTd, CTg >::m_Y, OneDimQuinticSpline< Td, Tg, CTd, CTg >::m_Y2, OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolateThirdDeriv(), OneDimGridFunctor< Td, Tg, CTd, CTg >::r(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_max, and OneDimQuinticSpline< Td, Tg, CTd, CTg >::r_min.

161  {
162  if (r < r_min)
163  {
164  return m_Y[0] + first_deriv * (r - r_min);
165  }
166  else if (r >= r_max)
167  {
168  return ConstValue;
169  }
170  Td cL;
171  int Loc = m_grid->getIndexAndDistanceFromGridPoint(r, cL);
172  return quinticInterpolateThirdDeriv(cL, m_Y[Loc], B[Loc], m_Y2[Loc], D[Loc], E[Loc], F[Loc], du, d2u, d3u);
173  }
qmcplusplus::OneDimGridFunctor::m_Y
data_type m_Y
data for the function on the grid
Definition: OneDimGridFunctor.h:194
qmcplusplus::OneDimGridFunctor::r
point_type r(int i) const
return the grid point at index i
Definition: OneDimGridFunctor.h:121
qmcplusplus::OneDimQuinticSpline::quinticInterpolateThirdDeriv
Td quinticInterpolateThirdDeriv(Td cL, Td a, Td b, Td c, Td d, Td e, Td f, Td &du, Td &d2u, Td &d3u) const
Definition: OneDimQuinticSpline.h:120
qmcplusplus::OneDimGridFunctor::m_grid
std::unique_ptr< grid_type > m_grid
pointer to the radial grid
Definition: OneDimGridFunctor.h:184

Member Data Documentation

◆ B

data_type B

Definition at line 44 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::set(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ ConstValue

value_type ConstValue

Definition at line 55 of file OneDimQuinticSpline.h.

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ D

data_type D

Definition at line 45 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::set(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ d2Y

value_type d2Y

store the second derivative of the function

Definition at line 191 of file OneDimGridFunctor.h.

◆ dY

value_type dY

store the derivative of the function

Definition at line 189 of file OneDimGridFunctor.h.

◆ E

data_type E

Definition at line 46 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::set(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ F

data_type F

Definition at line 47 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::set(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ first_deriv

value_type first_deriv

Definition at line 53 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ last_deriv

value_type last_deriv

Definition at line 54 of file OneDimQuinticSpline.h.

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline().

◆ m_grid

std::unique_ptr<grid_type> m_grid

pointer to the radial grid

Definition at line 184 of file OneDimGridFunctor.h.

◆ m_Y

data_type m_Y

data for the function on the grid

Definition at line 194 of file OneDimGridFunctor.h.

Referenced by MultiQuinticSpline1D< T >::add_spline().

◆ m_Y2

data_type m_Y2

Definition at line 43 of file OneDimQuinticSpline.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::set(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ NumNodes

int NumNodes

the number of nodes

Definition at line 197 of file OneDimGridFunctor.h.

◆ r_max

point_type r_max

Definition at line 52 of file OneDimQuinticSpline.h.

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ r_min

point_type r_min

Definition at line 51 of file OneDimQuinticSpline.h.

Referenced by OneDimQuinticSpline< Td, Tg, CTd, CTg >::OneDimQuinticSpline(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::spline(), and OneDimQuinticSpline< Td, Tg, CTd, CTg >::splint().

◆ Y

value_type Y

store the value of the function

Definition at line 187 of file OneDimGridFunctor.h.

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