Oracle for Cartesian mesh data. More...
Data Structures | |
| struct | sVgrid |
| Electrostatic potential oracle for Cartesian mesh data. More... | |
Files | |
| file | vgrid.h |
Potential oracle for Cartesian mesh data. | |
| file | vgrid.c |
Class Vgrid methods. | |
Defines | |
| #define | VGRID_DIGITS 6 |
| Number of decimal places for comparisons and formatting. | |
Typedefs | |
| typedef struct sVgrid | Vgrid |
| Declaration of the Vgrid class as the sVgrid structure. | |
Functions | |
| VEXTERNC unsigned long int | Vgrid_memChk (Vgrid *thee) |
| Return the memory used by this structure (and its contents) in bytes. | |
| VEXTERNC 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) | |
| VEXTERNC 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) | |
| VEXTERNC int | Vgrid_value (Vgrid *thee, double x[3], double *value) |
| Get potential value (from mesh or approximation) at a point. | |
| VEXTERNC void | Vgrid_dtor (Vgrid **thee) |
| Object destructor. | |
| VEXTERNC void | Vgrid_dtor2 (Vgrid *thee) |
| FORTRAN stub object destructor. | |
| VEXTERNC int | Vgrid_curvature (Vgrid *thee, double pt[3], int cflag, double *curv) |
| Get second derivative values at a point. | |
| VEXTERNC int | Vgrid_gradient (Vgrid *thee, double pt[3], double grad[3]) |
| Get first derivative values at a point. | |
| VEXTERNC int | Vgrid_readGZ (Vgrid *thee, const char *fname) |
| Read in OpenDX data in GZIP format. | |
| VEXTERNC 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. | |
| VEXTERNC 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. | |
| VEXTERNC int | Vgrid_readDX (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| Read in data in OpenDX grid format. | |
| VEXTERNC double | Vgrid_integrate (Vgrid *thee) |
| Get the integral of the data. | |
| VEXTERNC double | Vgrid_normL1 (Vgrid *thee) |
Get the norm of the data. This returns the integral:
| |
| VEXTERNC double | Vgrid_normL2 (Vgrid *thee) |
Get the norm of the data. This returns the integral:
| |
| VEXTERNC double | Vgrid_normLinf (Vgrid *thee) |
Get the norm of the data. This returns the integral:
| |
| VEXTERNC double | Vgrid_seminormH1 (Vgrid *thee) |
Get the semi-norm of the data. This returns the integral:
| |
| VEXTERNC double | Vgrid_normH1 (Vgrid *thee) |
Get the norm (or energy norm) of the data. This returns the integral:
| |
Oracle for Cartesian mesh data.
| VEXTERNC 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)
| nx | Number grid points in x direction |
| ny | Number grid points in y direction |
| nz | Number grid points in z direction |
| hx | Grid spacing in x direction |
| hy | Grid spacing in y direction |
| hzed | Grid spacing in z direction |
| xmin | x coordinate of lower grid corner |
| ymin | y coordinate of lower grid corner |
| zmin | z coordinate of lower grid corner |
| data | nx*ny*nz array of data. This can be VNULL if you are planning to read in data later with one of the read routines |
Definition at line 70 of file vgrid.c.

| VEXTERNC 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)
| thee | Pointer to newly allocated Vgrid object |
| nx | Number grid points in x direction |
| ny | Number grid points in y direction |
| nz | Number grid points in z direction |
| hx | Grid spacing in x direction |
| hy | Grid spacing in y direction |
| hzed | Grid spacing in z direction |
| xmin | x coordinate of lower grid corner |
| ymin | y coordinate of lower grid corner |
| zmin | z coordinate of lower grid corner |
| data | nx*ny*nz array of data. This can be VNULL if you are planning to read in data later with one of the read routines |
| VEXTERNC int Vgrid_curvature | ( | Vgrid * | thee, |
| double | pt[3], | ||
| int | cflag, | ||
| double * | curv | ||
| ) |
Get second derivative values at a point.
| thee | Pointer to Vgrid object |
| pt | Location to evaluate second derivative |
| cflag |
|
| curv | Specified curvature value |
Definition at line 274 of file vgrid.c.

| VEXTERNC void Vgrid_dtor | ( | Vgrid ** | thee ) |
| VEXTERNC void Vgrid_dtor2 | ( | Vgrid * | thee ) |
| VEXTERNC int Vgrid_gradient | ( | Vgrid * | thee, |
| double | pt[3], | ||
| double | grad[3] | ||
| ) |
| VEXTERNC double Vgrid_integrate | ( | Vgrid * | thee ) |
| VEXTERNC unsigned long int Vgrid_memChk | ( | Vgrid * | thee ) |
| VEXTERNC double Vgrid_normH1 | ( | Vgrid * | thee ) |
| VEXTERNC double Vgrid_normL1 | ( | Vgrid * | thee ) |
| VEXTERNC double Vgrid_normL2 | ( | Vgrid * | thee ) |
| VEXTERNC double Vgrid_normLinf | ( | Vgrid * | thee ) |
| VEXTERNC int Vgrid_readDX | ( | Vgrid * | thee, |
| const char * | iodev, | ||
| const char * | iofmt, | ||
| const char * | thost, | ||
| const char * | fname | ||
| ) |
Read in data in OpenDX grid format.
| thee | Vgrid object |
| iodev | Input device type (FILE/BUFF/UNIX/INET) |
| iofmt | Input device format (ASCII/XDR) |
| thost | Input hostname (for sockets) |
| fname | Input FILE/BUFF/UNIX/INET name |
| VEXTERNC int Vgrid_readGZ | ( | Vgrid * | thee, |
| const char * | fname | ||
| ) |
| VEXTERNC double Vgrid_seminormH1 | ( | Vgrid * | thee ) |
| VEXTERNC int Vgrid_value | ( | Vgrid * | thee, |
| double | x[3], | ||
| double * | value | ||
| ) |
| VEXTERNC 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.
| thee | Grid object |
| iodev | Output device type (FILE/BUFF/UNIX/INET) |
| iofmt | Output device format (ASCII/XDR) |
| thost | Output hostname (for sockets) |
| fname | Output FILE/BUFF/UNIX/INET name |
| title | Title to be inserted in grid file |
| pvec | Partition weight ( if 1: point in current partition, if 0 point not in current partition if > 0 && < 1 point on/near boundary ) |
| VEXTERNC 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.
| thee | Grid object |
| iodev | Output device type (FILE/BUFF/UNIX/INET) |
| iofmt | Output device format (ASCII/XDR) |
| thost | Output hostname (for sockets) |
| fname | Output FILE/BUFF/UNIX/INET name |
| title | Title to be inserted in grid file |
| pvec | Partition weight ( if 1: point in current partition, if 0 point not in current partition if > 0 && < 1 point on/near boundary ) |
1.7.2