Vopot class

Potential oracle for Cartesian mesh data. More...

Files
file	vopot.c
	Class Vopot methods.
file	vopot.h
	Potential oracle for Cartesian mesh data.

Data Structures
struct	sVopot
	Electrostatic potential oracle for Cartesian mesh data. More...

Typedefs
typedef struct sVopot	Vopot
	Declaration of the Vopot class as the Vopot structure.

Functions
VEXTERNC Vopot *	Vopot_ctor (Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
	Construct Vopot object with values obtained from Vpmg_readDX (for example).
VEXTERNC int	Vopot_ctor2 (Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
	Initialize Vopot object with values obtained from Vpmg_readDX (for example).
VEXTERNC int	Vopot_pot (Vopot *thee, double x[3], double *pot)
	Get potential value (from mesh or approximation) at a point.
VEXTERNC void	Vopot_dtor (Vopot **thee)
	Object destructor.
VEXTERNC void	Vopot_dtor2 (Vopot *thee)
	FORTRAN stub object destructor.
VEXTERNC int	Vopot_curvature (Vopot *thee, double pt[3], int cflag, double *curv)
	Get second derivative values at a point.
VEXTERNC int	Vopot_gradient (Vopot *thee, double pt[3], double grad[3])
	Get first derivative values at a point.

Detailed Description

Potential oracle for Cartesian mesh data.

Typedef Documentation

Vopot

typedef struct sVopot Vopot

Declaration of the Vopot class as the Vopot structure.

Definition at line 96 of file vopot.h.

Function Documentation

Vopot_ctor()

VEXTERNC 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

Definition at line 65 of file vopot.c.

Vopot_ctor2()

VEXTERNC 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

Definition at line 80 of file vopot.c.

Vopot_curvature()

VEXTERNC 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

Definition at line 214 of file vopot.c.

Vopot_dtor()

VEXTERNC void Vopot_dtor

(

Vopot **

thee

)

Object destructor.

Author

Nathan Baker

Parameters

thee	Pointer to memory location of object to be destroyed

Definition at line 94 of file vopot.c.

Vopot_dtor2()

VEXTERNC void Vopot_dtor2

(

Vopot *

thee

)

FORTRAN stub object destructor.

Author

Nathan Baker

Parameters

thee	Pointer to object to be destroyed

Definition at line 107 of file vopot.c.

Vopot_gradient()

VEXTERNC 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

Definition at line 300 of file vopot.c.

Vopot_pot()

VEXTERNC 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

Definition at line 114 of file vopot.c.