Files | |
| file | vgrid.h |
| Potential oracle for Cartesian mesh data. | |
Data Structures | |
| struct | sVgrid |
| Electrostatic potential oracle for Cartesian mesh data. More... | |
Defines | |
| #define | VGRID_DIGITS 6 |
| Number of decimal places for comparisons and formatting. | |
Typedefs | |
| typedef sVgrid | Vgrid |
| Declaration of the Vgrid class as the sVgrid structure. | |
Functions | |
| unsigned long int | Vgrid_memChk (Vgrid *thee) |
| Return the memory used by this structure (and its contents) in bytes. | |
| Vgrid * | Vgrid_ctor (int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data) |
| Construct Vgrid object with values obtained from Vpmg_readDX (for example). | |
| int | Vgrid_ctor2 (Vgrid *thee, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data) |
| Initialize Vgrid object with values obtained from Vpmg_readDX (for example). | |
| int | Vgrid_value (Vgrid *thee, double x[3], double *value) |
| Get potential value (from mesh or approximation) at a point. | |
| void | Vgrid_dtor (Vgrid **thee) |
| Object destructor. | |
| void | Vgrid_dtor2 (Vgrid *thee) |
| FORTRAN stub object destructor. | |
| int | Vgrid_curvature (Vgrid *thee, double pt[3], int cflag, double *curv) |
| Get second derivative values at a point. | |
| int | Vgrid_gradient (Vgrid *thee, double pt[3], double grad[3]) |
| Get first derivative values at a point. | |
| void | Vgrid_writeUHBD (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out the data in UHBD grid format. | |
| void | Vgrid_writeDX (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out the data in OpenDX grid format. | |
| int | Vgrid_readDX (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| Read in data in OpenDX grid format. | |
| double | Vgrid_integrate (Vgrid *thee) |
| Get the integral of the data. | |
| double | Vgrid_normL1 (Vgrid *thee) |
Get the norm of the data. This returns the integral:
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| double | Vgrid_normL2 (Vgrid *thee) |
Get the norm of the data. This returns the integral:
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| double | Vgrid_normLinf (Vgrid *thee) |
Get the norm of the data. This returns the integral:
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| double | Vgrid_seminormH1 (Vgrid *thee) |
Get the semi-norm of the data. This returns the integral:
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| double | Vgrid_normH1 (Vgrid *thee) |
Get the norm (or energy norm) of the data. This returns the integral:
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Construct Vgrid object with values obtained from Vpmg_readDX (for example).
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Initialize Vgrid object with values obtained from Vpmg_readDX (for example).
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Get second derivative values at a point.
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Object destructor.
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FORTRAN stub object destructor.
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Get first derivative values at a point.
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Get the integral of the data.
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Return the memory used by this structure (and its contents) in bytes.
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Get the
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Get the
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Get the
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Get the
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Read in data in OpenDX grid format.
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Get the
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Get potential value (from mesh or approximation) at a point.
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Write out the data in OpenDX grid format.
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Write out the data in UHBD grid format.
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1.3.5