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 |
1.5.7.1