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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.


Detailed Description

Potential oracle for Cartesian mesh data.


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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