vgreen.h File Reference
Contains declarations for class Vgreen. More...
#include "maloc/maloc.h"#include "apbs/vhal.h"#include "apbs/vunit.h"#include "apbs/vatom.h"#include "apbs/valist.h"
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Data Structures | |
| struct | sVgreen |
| Contains public data members for Vgreen class/module. More... | |
Typedefs | |
| typedef struct sVgreen | Vgreen |
| Declaration of the Vgreen class as the Vgreen structure. | |
Functions | |
| Valist * | Vgreen_getValist (Vgreen *thee) |
| Get the atom list associated with this Green's function object. | |
| unsigned long int | Vgreen_memChk (Vgreen *thee) |
| Return the memory used by this structure (and its contents) in bytes. | |
| Vgreen * | Vgreen_ctor (Valist *alist) |
| Construct the Green's function oracle. | |
| int | Vgreen_ctor2 (Vgreen *thee, Valist *alist) |
| FORTRAN stub to construct the Green's function oracle. | |
| void | Vgreen_dtor (Vgreen **thee) |
| Destruct the Green's function oracle. | |
| void | Vgreen_dtor2 (Vgreen *thee) |
| FORTRAN stub to destruct the Green's function oracle. | |
| int | Vgreen_helmholtz (Vgreen *thee, int npos, double *x, double *y, double *z, double *val, double kappa) |
| Get the Green's function for Helmholtz's equation integrated over the atomic point charges. | |
| int | Vgreen_helmholtzD (Vgreen *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa) |
| Get the gradient of Green's function for Helmholtz's equation integrated over the atomic point charges. | |
| int | Vgreen_coulomb_direct (Vgreen *thee, int npos, double *x, double *y, double *z, double *val) |
| Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation. | |
| int | Vgreen_coulomb (Vgreen *thee, int npos, double *x, double *y, double *z, double *val) |
| Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation or H. E. Johnston, R. Krasny FMM library (if available). | |
| int | Vgreen_coulombD_direct (Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz) |
| Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation. | |
| int | Vgreen_coulombD (Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz) |
| Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using either direct summation or H. E. Johnston/R. Krasny FMM library (if available). | |
Detailed Description
Contains declarations for class Vgreen.
- Version:
- Id
- vgreen.h 1350 2009-02-12 00:38:48Z yhuang01
