Potential oracle for Cartesian mesh data.
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file | vopot.c |
| Class Vopot methods.
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file | vopot.h |
| Potential oracle for Cartesian mesh data.
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struct | sVopot |
| Electrostatic potential oracle for Cartesian mesh data. More...
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typedef struct sVopot | Vopot |
| Declaration of the Vopot class as the Vopot structure.
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VEXTERNC Vopot * | Vopot_ctor (Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl) |
| Construct Vopot object with values obtained from Vpmg_readDX (for example) More...
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VEXTERNC int | Vopot_ctor2 (Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl) |
| Initialize Vopot object with values obtained from Vpmg_readDX (for example) More...
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VEXTERNC int | Vopot_pot (Vopot *thee, double x[3], double *pot) |
| Get potential value (from mesh or approximation) at a point. More...
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VEXTERNC void | Vopot_dtor (Vopot **thee) |
| Object destructor. More...
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VEXTERNC void | Vopot_dtor2 (Vopot *thee) |
| FORTRAN stub object destructor. More...
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VEXTERNC int | Vopot_curvature (Vopot *thee, double pt[3], int cflag, double *curv) |
| Get second derivative values at a point. More...
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VEXTERNC int | Vopot_gradient (Vopot *thee, double pt[3], double grad[3]) |
| Get first derivative values at a point. More...
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Potential oracle for Cartesian mesh data.
◆ Vopot_ctor()
Construct Vopot object with values obtained from Vpmg_readDX (for example)
- Author
- Nathan Baker
- Parameters
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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()
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 |
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Vopot * |
thee, |
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double |
pt[3], |
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int |
cflag, |
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double * |
curv |
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) |
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Get second derivative values at a point.
- Author
- Nathan Baker
- Parameters
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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
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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 |
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Vopot ** |
thee | ) |
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Object destructor.
- Author
- Nathan Baker
- Parameters
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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 | ) |
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FORTRAN stub object destructor.
- Author
- Nathan Baker
- Parameters
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thee | Pointer to object to be destroyed |
Definition at line 107 of file vopot.c.
◆ Vopot_gradient()
VEXTERNC int Vopot_gradient |
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Vopot * |
thee, |
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double |
pt[3], |
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double |
grad[3] |
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) |
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Get first derivative values at a point.
- Author
- Nathan Baker
- Parameters
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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, |
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double |
x[3], |
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double * |
pot |
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) |
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Get potential value (from mesh or approximation) at a point.
- Author
- Nathan Baker
- Parameters
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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.