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sVpmg Struct Reference
[Vpmg class]

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

#include <vpmg.h>

Collaboration diagram for sVpmg:

[legend]

Data Fields

Vmem * vmem
Vpmgppmgp
Vpbepbe
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
int * pvec
double extDiEnergy
double extQmEnergy
double extQfEnergy
double extNpEnergy
Vsurf_Meth surfMeth
double splineWin
Vchrg_Meth chargeMeth
int filled
int useDielXMap
VgriddielXMap
int useDielYMap
VgriddielYMap
int useDielZMap
VgriddielZMap
int useKappaMap
VgridkappaMap
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.


Field Documentation

double* sVpmg::a1cf
 

Operator coefficient values (a11)

double* sVpmg::a2cf
 

Operator coefficient values (a22)

double* sVpmg::a3cf
 

Operator coefficient values (a33)

double* sVpmg::ccf
 

Helmholtz term

Vgrid* sVpmg::chargeMap
 

External charge distribution map

Vchrg_Meth sVpmg::chargeMeth
 

Charge discretization method

Vgrid* sVpmg::dielXMap
 

External x-shifted dielectric map

Vgrid* sVpmg::dielYMap
 

External y-shifted dielectric map

Vgrid* sVpmg::dielZMap
 

External z-shifted dielectric map

double sVpmg::extDiEnergy
 

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

double sVpmg::extNpEnergy
 

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

double sVpmg::extQfEnergy
 

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

double sVpmg::extQmEnergy
 

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

double* sVpmg::fcf
 

Right-hand side

int sVpmg::filled
 

Indicates whether Vpmg_fillco has been called

double* sVpmg::gxcf
 

Boundary conditions for x faces

double* sVpmg::gycf
 

Boundary conditions for y faces

double* sVpmg::gzcf
 

Boundary conditions for z faces

int* sVpmg::iparm
 

Passing int parameters to FORTRAN

int* sVpmg::iwork
 

Work array

Vgrid* sVpmg::kappaMap
 

External kappa map

Vpbe* sVpmg::pbe
 

Information about the PBE system

Vpmgp* sVpmg::pmgp
 

Parameters

int* sVpmg::pvec
 

Partition mask array

double* sVpmg::rparm
 

Passing real parameters to FORTRAN

double* sVpmg::rwork
 

Work array

double sVpmg::splineWin
 

Spline window parm for surf defs

Vsurf_Meth sVpmg::surfMeth
 

Surface definition method

double* sVpmg::tcf
 

True solution

double* sVpmg::u
 

Solution

int sVpmg::useChargeMap
 

Indicates whether Vpmg_fillco was called with an external charge distribution map

int sVpmg::useDielXMap
 

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

int sVpmg::useDielYMap
 

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

int sVpmg::useDielZMap
 

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

int sVpmg::useKappaMap
 

Indicates whether Vpmg_fillco was called with an external kappa map

Vmem* sVpmg::vmem
 

Memory management object for this class

double* sVpmg::xf
 

Mesh point x coordinates

double* sVpmg::yf
 

Mesh point y coordinates

double* sVpmg::zf
 

Mesh point z coordinates


The documentation for this struct was generated from the following file:
Generated on Tue Feb 17 09:27:29 2004 for APBS by doxygen1.2.18