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. |
Construct Vopot object with values obtained from Vpmg_readDX (for example).
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 |
Initialize Vopot object with values obtained from Vpmg_readDX (for example).
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 |
int Vopot_curvature | ( | Vopot * | thee, | |
double | pt[3], | |||
int | cflag, | |||
double * | curv | |||
) |
Get second derivative values at a point.
thee | Pointer to Vopot object | |
pt | Location to evaluate second derivative | |
cflag |
| |
curv | Set to specified curvature value |
void Vopot_dtor | ( | Vopot ** | thee | ) |
Object destructor.
thee | Pointer to memory location of object to be destroyed |
void Vopot_dtor2 | ( | Vopot * | thee | ) |
FORTRAN stub object destructor.
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.
thee | Pointer to Vopot object | |
pt | Location to evaluate gradient | |
grad | Gradient |
int Vopot_pot | ( | Vopot * | thee, | |
double | x[3], | |||
double * | pot | |||
) |
Get potential value (from mesh or approximation) at a point.
thee | Vopot obejct | |
x | Point at which to evaluate potential | |
pot | Set to dimensionless potential (units kT/e) at point x |