Computes the potential energy for an external harmonic potential. More...

#include <potential.h>

Inheritance diagram for HarmonicPotential:

Collaboration diagram for HarmonicPotential:

Public Member Functions
	HarmonicPotential (double)
	Constructor.

	~HarmonicPotential ()
	Destructor.

double	V (const dVec &r)
	The potential.

dVec	gradV (const dVec &r)
	The gradient of the potential.

Array< dVec, 1 >	initialConfig (const Container *, MTRand &, const int)
	Initial configuration corresponding to Harmonic potential. More...

Public Member Functions inherited from PotentialBase
	PotentialBase ()
	Constructor.

virtual	~PotentialBase ()
	Destructor.

virtual double	V (const dVec &, const dVec &)
	The effective potential for the pair product approximation.

virtual double	grad2V (const dVec &)
	Grad^2 of the potential.

virtual double	dVdlambda (const dVec &, const dVec &)
	The derivative of the effective potential with respect to lambda and tau.

virtual double	dVdtau (const dVec &, const dVec &)

void	output (const double)
	A debug method that output's the potential to a supplied separation. More...

virtual Array< double, 1 >	getExcLen ()
	Array to hold data elements. More...

Data Fields
double	omega2

Data Fields inherited from PotentialBase
double	tailV
	Tail correction factor.

Additional Inherited Members
Protected Member Functions inherited from PotentialBase
double	deltaSeparation (double sep1, double sep2) const
	Return the minimum image difference for 1D separations.

Detailed Description

Computes the potential energy for an external harmonic potential.

We work in generalized units where hbar omega / k_B = 1.

Definition at line 145 of file potential.h.

Member Function Documentation

◆ initialConfig()

Array< dVec, 1 > HarmonicPotential::initialConfig	(	const Container *	boxPtr,
		MTRand &	random,
		const int	numParticles
	)

virtual

Initial configuration corresponding to Harmonic potential.

Return an initial particle configuration.

We create particles at random locations close to the origin.

Reimplemented from PotentialBase.

Definition at line 332 of file potential.cpp.

                                 {
  
     /* The particle configuration */
     Array<dVec,1> initialPos(numParticles);
     initialPos = 0.0;
  
     for (int n = 0; n < numParticles; n++) {
         for (int i = 0; i < NDIM; i++) 
             initialPos(n)[i] = 0.1*boxPtr->side[i]*(-1.0 + 2.0*random.rand());
     }
  
     return initialPos;
 }

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

include/potential.h
src/potential.cpp

Public Member Functions

Data Fields

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ initialConfig()