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 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).

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Detailed Description

Contains declarations for class Vgreen.

Version:

Id

vgreen.h,v 2.18 2004/03/09 22:52:52 apbs Exp

Author:

Nathan A. Baker

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