Contains public data members for Vpmg class/module.
More...
#include </builddir/build/BUILD/apbs/src/mg/vpmg.h>
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 116 of file vpmg.h.
◆ a1cf
Operator coefficient values (a11) – this array can be overwritten
Definition at line 138 of file vpmg.h.
◆ a2cf
Operator coefficient values (a22) – this array can be overwritten
Definition at line 140 of file vpmg.h.
◆ a3cf
Operator coefficient values (a33) – this array can be overwritten
Definition at line 142 of file vpmg.h.
◆ ccf
Helmholtz term – this array can be overwritten
Definition at line 144 of file vpmg.h.
◆ charge
Charge map
Definition at line 132 of file vpmg.h.
◆ chargeMap
External charge distribution map
Definition at line 188 of file vpmg.h.
◆ chargeMeth
Charge discretization method
Definition at line 165 of file vpmg.h.
◆ chargeSrc
Charge source
Definition at line 166 of file vpmg.h.
◆ dielXMap
External x-shifted dielectric map
Definition at line 172 of file vpmg.h.
◆ dielYMap
External y-shifted dielectric map
Definition at line 175 of file vpmg.h.
◆ dielZMap
External z-shifted dielectric map
Definition at line 178 of file vpmg.h.
◆ epsx
X-shifted dielectric map
Definition at line 127 of file vpmg.h.
◆ epsy
Y-shifted dielectric map
Definition at line 128 of file vpmg.h.
◆ epsz
Y-shifted dielectric map
Definition at line 129 of file vpmg.h.
◆ extDiEnergy
Stores contributions to the dielectric energy from regions outside the problem domain
Definition at line 155 of file vpmg.h.
◆ extNpEnergy
Stores contributions to the apolar energy from regions outside the problem domain
Definition at line 161 of file vpmg.h.
◆ extQfEnergy
Stores contributions to the fixed charge energy from regions outside the problem domain
Definition at line 159 of file vpmg.h.
◆ extQmEnergy
Stores contributions to the mobile ion energy from regions outside the problem domain
Definition at line 157 of file vpmg.h.
◆ fcf
Right-hand side – this array can be overwritten
Definition at line 145 of file vpmg.h.
◆ filled
Indicates whether Vpmg_fillco has been called
Definition at line 168 of file vpmg.h.
◆ gxcf
Boundary conditions for x faces
Definition at line 151 of file vpmg.h.
◆ gycf
Boundary conditions for y faces
Definition at line 152 of file vpmg.h.
◆ gzcf
Boundary conditions for z faces
Definition at line 153 of file vpmg.h.
◆ iparm
Passing int parameters to FORTRAN
Definition at line 134 of file vpmg.h.
◆ iwork
Work array
Definition at line 136 of file vpmg.h.
◆ kappa
Ion accessibility map (0 <= kappa(x) <= 1)
Definition at line 130 of file vpmg.h.
◆ kappaMap
External kappa map
Definition at line 181 of file vpmg.h.
◆ pbe
Information about the PBE system
Definition at line 120 of file vpmg.h.
◆ pmgp
Parameters
Definition at line 119 of file vpmg.h.
◆ pot
Potential map
Definition at line 131 of file vpmg.h.
◆ potMap
External potential map
Definition at line 184 of file vpmg.h.
◆ pvec
Partition mask array
Definition at line 154 of file vpmg.h.
◆ rparm
Passing real parameters to FORTRAN
Definition at line 135 of file vpmg.h.
◆ rwork
Work array
Definition at line 137 of file vpmg.h.
◆ splineWin
Spline window parm for surf defs
Definition at line 164 of file vpmg.h.
◆ surfMeth
Surface definition method
Definition at line 163 of file vpmg.h.
◆ tcf
True solution
Definition at line 146 of file vpmg.h.
Solution
Definition at line 147 of file vpmg.h.
◆ useChargeMap
Indicates whether Vpmg_fillco was called with an external charge distribution map
Definition at line 186 of file vpmg.h.
◆ useDielXMap
Indicates whether Vpmg_fillco was called with an external x-shifted dielectric map
Definition at line 170 of file vpmg.h.
◆ useDielYMap
Indicates whether Vpmg_fillco was called with an external y-shifted dielectric map
Definition at line 173 of file vpmg.h.
◆ useDielZMap
Indicates whether Vpmg_fillco was called with an external z-shifted dielectric map
Definition at line 176 of file vpmg.h.
◆ useKappaMap
Indicates whether Vpmg_fillco was called with an external kappa map
Definition at line 179 of file vpmg.h.
◆ usePotMap
Indicates whether Vpmg_fillco was called with an external potential map
Definition at line 182 of file vpmg.h.
◆ vmem
Memory management object for this class
Definition at line 118 of file vpmg.h.
◆ xf
Mesh point x coordinates
Definition at line 148 of file vpmg.h.
◆ yf
Mesh point y coordinates
Definition at line 149 of file vpmg.h.
◆ zf
Mesh point z coordinates
Definition at line 150 of file vpmg.h.
The documentation for this struct was generated from the following file: