QMCPACK
CoulombPot.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 COULOMB_POT_H
17 #define COULOMB_POT_H
18 
19 #include "PotentialBase.h"
20 
21 class CoulombPot : public Potential
22 {
23 public:
24  double Z1Z2;
25 
26  double V(double r) override;
27  double dVdr(double r) override;
28  double d2Vdr2(double r) override;
29  double X_k(double rcut, double k) override;
30  bool NeedsRel() override;
31  void Write(IOSectionClass& out) override;
32  void Read(IOSectionClass& in) override;
33 };
34 
35 #endif
double V(double r) override
void Read(IOSectionClass &in) override
double X_k(double rcut, double k) override
void Write(IOSectionClass &out) override
bool NeedsRel() override
double d2Vdr2(double r) override
double Z1Z2
Definition: CoulombPot.h:24
Wrapper class for IOTreeClass that gives a nearly identical interface as the OutputSectionClass.
Definition: IO.h:110
double dVdr(double r) override