Vopot class

Potential oracle for Cartesian mesh data. More...

Data Structures
struct	sVopot
	Electrostatic potential oracle for Cartesian mesh data. More...
Files
file	vopot.h
	Potential oracle for Cartesian mesh data.
file	vopot.c
	Class Vopot methods.
Typedefs
typedef struct sVopot	Vopot
	Declaration of the Vopot class as the Vopot structure.
Functions
Vopot *	Vopot_ctor (Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
	Construct Vopot object with values obtained from Vpmg_readDX (for example).
int	Vopot_ctor2 (Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
	Initialize Vopot object with values obtained from Vpmg_readDX (for example).
int	Vopot_pot (Vopot *thee, double x[3], double *pot)
	Get potential value (from mesh or approximation) at a point.
void	Vopot_dtor (Vopot **thee)
	Object destructor.
void	Vopot_dtor2 (Vopot *thee)
	FORTRAN stub object destructor.
int	Vopot_curvature (Vopot *thee, double pt[3], int cflag, double *curv)
	Get second derivative values at a point.
int	Vopot_gradient (Vopot *thee, double pt[3], double grad[3])
	Get first derivative values at a point.

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Detailed Description

Potential oracle for Cartesian mesh data.

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Function Documentation

Vopot* Vopot_ctor	(	Vmgrid *	mgrid,
		Vpbe *	pbe,
		Vbcfl	bcfl
	)

Construct Vopot object with values obtained from Vpmg_readDX (for example).

Author:

Nathan Baker

Parameters:

	mgrid	Multiple grid object containing potential data (in units kT/e)
	pbe	Pointer to Vpbe object for parameters
	bcfl	Boundary condition to use for potential values off the grid

Returns:

Newly allocated and initialized Vopot object

int Vopot_ctor2	(	Vopot *	thee,
		Vmgrid *	mgrid,
		Vpbe *	pbe,
		Vbcfl	bcfl
	)

Initialize Vopot object with values obtained from Vpmg_readDX (for example).

Author:

Nathan Baker

Parameters:

	thee	Pointer to newly allocated Vopot object
	mgrid	Multiple grid object containing potential data (in units kT/e)
	pbe	Pointer to Vpbe object for parameters
	bcfl	Boundary condition to use for potential values off the grid

Returns:

1 if successful, 0 otherwise

int Vopot_curvature	(	Vopot *	thee,
		double	pt[3],
		int	cflag,
		double *	curv
	)

Get second derivative values at a point.

Author:

Nathan Baker

Parameters:

	thee	Pointer to Vopot object
	pt	Location to evaluate second derivative
	cflag	0: Reduced Maximal Curvature 1: Mean Curvature (Laplace) 2: Gauss Curvature 3: True Maximal Curvature
	curv	Set to specified curvature value

Returns:

1 if successful, 0 otherwise

void Vopot_dtor

(

Vopot **

thee

)

Object destructor.

Author:

Nathan Baker

Parameters:

thee

Pointer to memory location of object to be destroyed

void Vopot_dtor2

(

Vopot *

thee

)

FORTRAN stub object destructor.

Author:

Nathan Baker

Parameters:

thee

Pointer to object to be destroyed

int Vopot_gradient	(	Vopot *	thee,
		double	pt[3],
		double	grad[3]
	)

Get first derivative values at a point.

Author:

Nathan Baker

Parameters:

	thee	Pointer to Vopot object
	pt	Location to evaluate gradient
	grad	Gradient

Returns:

1 if successful, 0 otherwise

int Vopot_pot	(	Vopot *	thee,
		double	x[3],
		double *	pot
	)

Get potential value (from mesh or approximation) at a point.

Author:

Nathan Baker

Parameters:

	thee	Vopot obejct
	x	Point at which to evaluate potential
	pot	Set to dimensionless potential (units kT/e) at point x

Returns:

1 if successful, 0 otherwise