Data Structures |
struct | sMGparm |
| Parameter structure for MG-specific variables from input files. More...
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Files |
file | mgparm.h |
| Contains declarations for class MGparm.
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file | mgparm.c |
| Class MGparm methods.
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Typedefs |
typedef enum eMGparm_CalcType | MGparm_CalcType |
| Declare MGparm_CalcType type.
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typedef enum eMGparm_CentMeth | MGparm_CentMeth |
| Declare MGparm_CentMeth type.
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typedef struct sMGparm | MGparm |
| Declaration of the MGparm class as the MGparm structure.
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Enumerations |
enum | eMGparm_CalcType {
MCT_MANUAL = 0,
MCT_AUTO = 1,
MCT_PARALLEL = 2,
MCT_DUMMY = 3,
MCT_NONE = 4
} |
| Calculation type.
More...
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enum | eMGparm_CentMeth { MCM_POINT = 0,
MCM_MOLECULE = 1,
MCM_FOCUS = 2
} |
| Centering method.
More...
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Functions |
VEXTERNC Vrc_Codes | APOLparm_parseToken (APOLparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
| Parse an MG keyword from an input file.
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VEXTERNC Vrc_Codes | FEMparm_parseToken (FEMparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
| Parse an MG keyword from an input file.
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VEXTERNC int | MGparm_getNx (MGparm *thee) |
| Get number of grid points in x direction.
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VEXTERNC int | MGparm_getNy (MGparm *thee) |
| Get number of grid points in y direction.
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VEXTERNC int | MGparm_getNz (MGparm *thee) |
| Get number of grid points in z direction.
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VEXTERNC double | MGparm_getHx (MGparm *thee) |
| Get grid spacing in x direction (Å)
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VEXTERNC double | MGparm_getHy (MGparm *thee) |
| Get grid spacing in y direction (Å)
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VEXTERNC double | MGparm_getHz (MGparm *thee) |
| Get grid spacing in z direction (Å)
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VEXTERNC void | MGparm_setCenterX (MGparm *thee, double x) |
| Set center x-coordinate.
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VEXTERNC void | MGparm_setCenterY (MGparm *thee, double y) |
| Set center y-coordinate.
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VEXTERNC void | MGparm_setCenterZ (MGparm *thee, double z) |
| Set center z-coordinate.
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VEXTERNC double | MGparm_getCenterX (MGparm *thee) |
| Get center x-coordinate.
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VEXTERNC double | MGparm_getCenterY (MGparm *thee) |
| Get center y-coordinate.
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VEXTERNC double | MGparm_getCenterZ (MGparm *thee) |
| Get center z-coordinate.
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VEXTERNC MGparm * | MGparm_ctor (MGparm_CalcType type) |
| Construct MGparm object.
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VEXTERNC Vrc_Codes | MGparm_ctor2 (MGparm *thee, MGparm_CalcType type) |
| FORTRAN stub to construct MGparm object.
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VEXTERNC void | MGparm_dtor (MGparm **thee) |
| Object destructor.
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VEXTERNC void | MGparm_dtor2 (MGparm *thee) |
| FORTRAN stub for object destructor.
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VEXTERNC Vrc_Codes | MGparm_check (MGparm *thee) |
| Consistency check for parameter values stored in object.
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VEXTERNC void | MGparm_copy (MGparm *thee, MGparm *parm) |
| Copy MGparm object into thee.
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VEXTERNC Vrc_Codes | MGparm_parseToken (MGparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
| Parse an MG keyword from an input file.
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Parameter which holds useful parameters for generic multigrid calculations.