APBS 3.0.0
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Contains public data members for Vpmg class/module. More...
#include </builddir/build/BUILD/apbs-3.0.0-build/apbs-3.0.0/src/mg/vpmg.h>
Data Fields | |
Vmem * | vmem |
Vpmgp * | pmgp |
Vpbe * | pbe |
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 |
Vgrid * | dielXMap |
int | useDielYMap |
Vgrid * | dielYMap |
int | useDielZMap |
Vgrid * | dielZMap |
int | useKappaMap |
Vgrid * | kappaMap |
int | usePotMap |
Vgrid * | potMap |
int | useChargeMap |
Vgrid * | chargeMap |
Contains public data members for Vpmg class/module.
Many of the routines and macros are borrowed from the main.c driver (written by Mike Holst) provided with the PMG code.
double* a1cf |
double* a2cf |
double* a3cf |
Vchrg_Meth chargeMeth |
double extDiEnergy |
double extNpEnergy |
double extQfEnergy |
double extQmEnergy |
Vsurf_Meth surfMeth |
int useChargeMap |
int useDielXMap |
int useDielYMap |
int useDielZMap |
int useKappaMap |
int usePotMap |