QMCPACK
Public Member Functions | Protected Attributes | List of all members
GeneralPot Class Reference
+ Inheritance diagram for GeneralPot:
+ Collaboration diagram for GeneralPot:

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
 
 GeneralPot ()
 
 ~GeneralPot ()=default
 
- 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)
 

Protected Attributes

std::shared_ptr< Grid > PotGrid
 
CubicSplineCommon PotSpline
 
double Z
 

Detailed Description

Definition at line 22 of file GeneralPot.h.

Constructor & Destructor Documentation

◆ GeneralPot()

GeneralPot ( )

◆ ~GeneralPot()

~GeneralPot ( )
default

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

◆ PotGrid

std::shared_ptr<Grid> PotGrid
protected

Definition at line 25 of file GeneralPot.h.

◆ PotSpline

CubicSplineCommon PotSpline
protected

Definition at line 26 of file GeneralPot.h.

◆ Z

double Z
protected

Definition at line 27 of file GeneralPot.h.

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