70#include "maloc/maloc.h"
107#if !defined(VINLINE_VGREEN)
128# define Vgreen_getValist(thee) ((thee)->alist)
129# define Vgreen_memChk(thee) (Vmem_bytes((thee)->vmem))
192 double *z,
double *val,
double kappa);
222 double *z,
double *gradx,
double *grady,
double *gradz,
double kappa);
245 double *y,
double *z,
double *val);
268 double *z,
double *val);
294 double *y,
double *z,
double *pot,
double *gradx,
double *grady,
double
322 double *z,
double *pot,
double *gradx,
double *grady,
double *gradz);
struct sValist Valist
Declaration of the Valist class as the Valist structure.
VEXTERNC void Vgreen_dtor(Vgreen **thee)
Destruct the Green's function oracle.
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 t...
VEXTERNC Valist * Vgreen_getValist(Vgreen *thee)
Get the atom list associated with this Green's function object.
VEXTERNC void Vgreen_dtor2(Vgreen *thee)
FORTRAN stub to destruct the Green's function oracle.
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.
struct sVgreen Vgreen
Declaration of the Vgreen class as the Vgreen structure.
VEXTERNC int Vgreen_ctor2(Vgreen *thee, Valist *alist)
FORTRAN stub to construct the Green's function oracle.
VEXTERNC Vgreen * Vgreen_ctor(Valist *alist)
Construct the Green's function oracle.
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 t...
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 po...
VEXTERNC unsigned long int Vgreen_memChk(Vgreen *thee)
Return the memory used by this structure (and its contents) in bytes.
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 po...
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 charge...
Contains public data members for Vgreen class/module.
Contains declarations for class Valist.
Contains declarations for class Vatom.
Contains generic macro definitions for APBS.
Contains a collection of useful constants and conversion factors.