Data Fields

sVpmg Struct Reference
[Vpmg class]

Contains public data members for Vpmg class/module. More...

#include <C:/Users/bake113/Desktop/Sync/Software/apbs/trunk/src/mg/apbs/vpmg.h>

Collaboration diagram for sVpmg:
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Data Fields

Vmem * vmem
Vpmgppmgp
Vpbepbe
double * epsx
double * epsy
double * epsz
double * kappa
double * pot
double * charge
int * iparm
double * rparm
int * iwork
double * rwork
double * a1cf
double * a2cf
double * a3cf
double * ccf
double * fcf
double * tcf
double * u
double * xf
double * yf
double * zf
double * gxcf
double * gycf
double * gzcf
double * pvec
double extDiEnergy
double extQmEnergy
double extQfEnergy
double extNpEnergy
Vsurf_Meth surfMeth
double splineWin
Vchrg_Meth chargeMeth
Vchrg_Src chargeSrc
int filled
int useDielXMap
VgriddielXMap
int useDielYMap
VgriddielYMap
int useDielZMap
VgriddielZMap
int useKappaMap
VgridkappaMap
int usePotMap
VgridpotMap
int useChargeMap
VgridchargeMap

Detailed Description

Contains public data members for Vpmg class/module.

Author:
Nathan Baker Many of the routines and macros are borrowed from the main.c driver (written by Mike Holst) provided with the PMG code.

Definition at line 88 of file vpmg.h.


Field Documentation

double* a1cf

Operator coefficient values (a11) -- this array can be overwritten

Definition at line 105 of file vpmg.h.

double* a2cf

Operator coefficient values (a22) -- this array can be overwritten

Definition at line 107 of file vpmg.h.

double* a3cf

Operator coefficient values (a33) -- this array can be overwritten

Definition at line 109 of file vpmg.h.

double* ccf

Helmholtz term -- this array can be overwritten

Definition at line 111 of file vpmg.h.

double* charge

Charge map

Definition at line 99 of file vpmg.h.

External charge distribution map

Definition at line 155 of file vpmg.h.

Charge discretization method

Definition at line 132 of file vpmg.h.

Charge source

Definition at line 133 of file vpmg.h.

External x-shifted dielectric map

Definition at line 139 of file vpmg.h.

External y-shifted dielectric map

Definition at line 142 of file vpmg.h.

External z-shifted dielectric map

Definition at line 145 of file vpmg.h.

double* epsx

X-shifted dielectric map

Definition at line 94 of file vpmg.h.

double* epsy

Y-shifted dielectric map

Definition at line 95 of file vpmg.h.

double* epsz

Y-shifted dielectric map

Definition at line 96 of file vpmg.h.

double extDiEnergy

Stores contributions to the dielectric energy from regions outside the problem domain

Definition at line 122 of file vpmg.h.

double extNpEnergy

Stores contributions to the apolar energy from regions outside the problem domain

Definition at line 128 of file vpmg.h.

double extQfEnergy

Stores contributions to the fixed charge energy from regions outside the problem domain

Definition at line 126 of file vpmg.h.

double extQmEnergy

Stores contributions to the mobile ion energy from regions outside the problem domain

Definition at line 124 of file vpmg.h.

double* fcf

Right-hand side -- this array can be overwritten

Definition at line 112 of file vpmg.h.

int filled

Indicates whether Vpmg_fillco has been called

Definition at line 135 of file vpmg.h.

double* gxcf

Boundary conditions for x faces

Definition at line 118 of file vpmg.h.

double* gycf

Boundary conditions for y faces

Definition at line 119 of file vpmg.h.

double* gzcf

Boundary conditions for z faces

Definition at line 120 of file vpmg.h.

int* iparm

Passing int parameters to FORTRAN

Definition at line 101 of file vpmg.h.

int* iwork

Work array

Definition at line 103 of file vpmg.h.

double* kappa

Ion accessibility map (0 <= kappa(x) <= 1)

Definition at line 97 of file vpmg.h.

External kappa map

Definition at line 148 of file vpmg.h.

Information about the PBE system

Definition at line 92 of file vpmg.h.

Parameters

Definition at line 91 of file vpmg.h.

double* pot

Potential map

Definition at line 98 of file vpmg.h.

External potential map

Definition at line 151 of file vpmg.h.

double* pvec

Partition mask array

Definition at line 121 of file vpmg.h.

double* rparm

Passing real parameters to FORTRAN

Definition at line 102 of file vpmg.h.

double* rwork

Work array

Definition at line 104 of file vpmg.h.

double splineWin

Spline window parm for surf defs

Definition at line 131 of file vpmg.h.

Surface definition method

Definition at line 130 of file vpmg.h.

double* tcf

True solution

Definition at line 113 of file vpmg.h.

double* u

Solution

Definition at line 114 of file vpmg.h.

Indicates whether Vpmg_fillco was called with an external charge distribution map

Definition at line 153 of file vpmg.h.

Indicates whether Vpmg_fillco was called with an external x-shifted dielectric map

Definition at line 137 of file vpmg.h.

Indicates whether Vpmg_fillco was called with an external y-shifted dielectric map

Definition at line 140 of file vpmg.h.

Indicates whether Vpmg_fillco was called with an external z-shifted dielectric map

Definition at line 143 of file vpmg.h.

Indicates whether Vpmg_fillco was called with an external kappa map

Definition at line 146 of file vpmg.h.

int usePotMap

Indicates whether Vpmg_fillco was called with an external potential map

Definition at line 149 of file vpmg.h.

Vmem* vmem

Memory management object for this class

Definition at line 90 of file vpmg.h.

double* xf

Mesh point x coordinates

Definition at line 115 of file vpmg.h.

double* yf

Mesh point y coordinates

Definition at line 116 of file vpmg.h.

double* zf

Mesh point z coordinates

Definition at line 117 of file vpmg.h.


The documentation for this struct was generated from the following file: