QMCPACK
ScreenedPot.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 SCREENED_POT_H
17 #define SCREENED_POT_H
18 
19 #include "PotentialBase.h"
20 #include "CubicSplineCommon.h"
21 
22 class ScreenedPot : public Potential
23 {
24 public:
25  double Charge;
28 
29  bool IsPH() override;
30  bool NeedsRel() override;
31  double GetCoreRadius() override;
32  double A(double r) override;
33  double B(double r) override;
34  double dAdr(double r) override;
35  double d2Adr2(double r) override;
36 
37  double V(int l, double r) override;
38  double dVdr(int l, double r) override;
39  double d2Vdr2(int l, double r) override;
40 
41  double V(double r) override;
42  double dVdr(double r) override;
43  double d2Vdr2(double r) override;
44  void Write(IOSectionClass& out) override;
45  void Read(IOSectionClass& in) override;
46 };
47 
48 
49 #endif
Potential * BarePot
Definition: ScreenedPot.h:27
double dAdr(double r) override
CubicSplineCommon HXC
Definition: ScreenedPot.h:26
double d2Vdr2(int l, double r) override
The CubicSplineCommon class is a third-order spline representation of a function. ...
double GetCoreRadius() override
double A(double r) override
double d2Adr2(double r) override
void Read(IOSectionClass &in) override
bool IsPH() override
double V(int l, double r) override
double B(double r) override
double dVdr(int l, double r) override
Wrapper class for IOTreeClass that gives a nearly identical interface as the OutputSectionClass.
Definition: IO.h:110
bool NeedsRel() override
void Write(IOSectionClass &out) override
double Charge
Definition: ScreenedPot.h:25