APBS  1.4.1
vgreen.h File Reference

Contains declarations for class Vgreen. More...

#include "apbscfg.h"
#include "maloc/maloc.h"
#include "generic/vhal.h"
#include "generic/vunit.h"
#include "generic/vatom.h"
#include "generic/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

VEXTERNC ValistVgreen_getValist (Vgreen *thee)
 Get the atom list associated with this Green's function object. More...
 
VEXTERNC unsigned long int Vgreen_memChk (Vgreen *thee)
 Return the memory used by this structure (and its contents) in bytes. More...
 
VEXTERNC VgreenVgreen_ctor (Valist *alist)
 Construct the Green's function oracle. More...
 
VEXTERNC int Vgreen_ctor2 (Vgreen *thee, Valist *alist)
 FORTRAN stub to construct the Green's function oracle. More...
 
VEXTERNC void Vgreen_dtor (Vgreen **thee)
 Destruct the Green's function oracle. More...
 
VEXTERNC void Vgreen_dtor2 (Vgreen *thee)
 FORTRAN stub to destruct the Green's function oracle. More...
 
VEXTERNC 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. More...
 
VEXTERNC 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. More...
 
VEXTERNC 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. More...
 
VEXTERNC 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) More...
 
VEXTERNC 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. More...
 
VEXTERNC 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) More...
 

Detailed Description

Contains declarations for class Vgreen.

Version
$Id$
Author
Nathan A. Baker

Definition in file vgreen.h.