SplinePot Class Reference

This class stores a tabulated potential and interpolates the data with a cubic spline. More...

Inheritance diagram for SplinePot:

Collaboration diagram for SplinePot:

Public Member Functions
double	V (double r) override
double	dVdr (double r) override
double	d2Vdr2 (double r) override
void	Write (IOSectionClass &out) override
void	Read (IOSectionClass &in) override
	SplinePot ()
Public Member Functions inherited from Potential
virtual	~Potential ()=default
virtual bool	IsPH ()
virtual bool	IsNonlocal ()
virtual double	V (int l, double r)
virtual double	dVdr (int l, double r)
virtual double	d2Vdr2 (int l, double r)
virtual bool	NeedsRel ()
virtual double	GetCoreRadius ()
virtual double	A (double r)
virtual double	B (double r)
virtual double	dAdr (double r)
virtual double	d2Adr2 (double r)
virtual double	X_k (double rcut, double k)

Public Attributes
CubicSplineCommon	Spline
	This stores. More...
Potential *	Vouter
	This is an optionally set potential that kicks in outside the maximum value of the grid point. More...

Detailed Description

This class stores a tabulated potential and interpolates the data with a cubic spline.

In case r is outside the tabulated grid, it optionally calls Vouter.

Definition at line 25 of file SplinePot.h.

Constructor & Destructor Documentation

SplinePot()

SplinePot ( )

inline

Definition at line 40 of file SplinePot.h.

              : Vouter(NULL)
  { /* No nothing else for now */
  }

Member Function Documentation

d2Vdr2()

double d2Vdr2 ( double  r )

overridevirtual

Implements Potential.

dVdr()

double dVdr ( double  r )

overridevirtual

Implements Potential.

Read()

void Read ( IOSectionClass &  in )

overridevirtual

Implements Potential.

V()

double V ( double  r )

overridevirtual

Implements Potential.

Write()

void Write ( IOSectionClass &  out )

overridevirtual

Implements Potential.

Member Data Documentation

Spline

CubicSplineCommon Spline

This stores.

Definition at line 30 of file SplinePot.h.

Vouter

Potential* Vouter

This is an optionally set potential that kicks in outside the maximum value of the grid point.

Definition at line 33 of file SplinePot.h.

---

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCTools/ppconvert/src/common/SplinePot.h