Vopot class

Potential oracle for Cartesian mesh data. More...

Files
file	vopot.h
	Potential oracle for Cartesian mesh data.
Data Structures
struct	sVopot
	Electrostatic potential oracle for Cartesian mesh data. More...
Typedefs
typedef 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

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