QMCPACK
SplinePot.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
6 //
7 // File developed by: Paul R. C. Kent, kentpr@ornl.gov, Oak Ridge National Laboratory
8 //
9 // File created by: Paul R. C. Kent, kentpr@ornl.gov, Oak Ridge National Laboratory
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 
13 // http://pathintegrals.info //
14 /////////////////////////////////////////////////////////////
15 
16 #ifndef SPLINE_POT_H
17 #define SPLINE_POT_H
18 
19 #include "PotentialBase.h"
20 #include "CubicSplineCommon.h"
21 
22 /// This class stores a tabulated potential and interpolates the data
23 /// with a cubic spline. In case r is outside the tabulated grid, it
24 /// optionally calls Vouter.
25 class SplinePot : public Potential
26 {
27 protected:
28 public:
29  /// This stores
31  /// This is an optionally set potential that kicks in outside the
32  /// maximum value of the grid point.
34 
35  double V(double r) override;
36  double dVdr(double r) override;
37  double d2Vdr2(double r) override;
38  void Write(IOSectionClass& out) override;
39  void Read(IOSectionClass& in) override;
40  SplinePot() : Vouter(NULL)
41  { /* No nothing else for now */
42  }
43 };
44 
45 #endif
void Read(IOSectionClass &in) override
void Write(IOSectionClass &out) override
double d2Vdr2(double r) override
The CubicSplineCommon class is a third-order spline representation of a function. ...
This class stores a tabulated potential and interpolates the data with a cubic spline.
Definition: SplinePot.h:25
CubicSplineCommon Spline
This stores.
Definition: SplinePot.h:30
SplinePot()
Definition: SplinePot.h:40
Potential * Vouter
This is an optionally set potential that kicks in outside the maximum value of the grid point...
Definition: SplinePot.h:33
Wrapper class for IOTreeClass that gives a nearly identical interface as the OutputSectionClass.
Definition: IO.h:110
double dVdr(double r) override
double V(double r) override