Contains public data members for Vpmg class/module.
More...
#include <C:/Users/bake113/Desktop/Sync/Software/apbs/trunk/src/mg/apbs/vpmg.h>
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
Operator coefficient values (a11) -- this array can be overwritten
Definition at line 105 of file vpmg.h.
Operator coefficient values (a22) -- this array can be overwritten
Definition at line 107 of file vpmg.h.
Operator coefficient values (a33) -- this array can be overwritten
Definition at line 109 of file vpmg.h.
Helmholtz term -- this array can be overwritten
Definition at line 111 of file vpmg.h.
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.
X-shifted dielectric map
Definition at line 94 of file vpmg.h.
Y-shifted dielectric map
Definition at line 95 of file vpmg.h.
Y-shifted dielectric map
Definition at line 96 of file vpmg.h.
Stores contributions to the dielectric energy from regions outside the problem domain
Definition at line 122 of file vpmg.h.
Stores contributions to the apolar energy from regions outside the problem domain
Definition at line 128 of file vpmg.h.
Stores contributions to the fixed charge energy from regions outside the problem domain
Definition at line 126 of file vpmg.h.
Stores contributions to the mobile ion energy from regions outside the problem domain
Definition at line 124 of file vpmg.h.
Right-hand side -- this array can be overwritten
Definition at line 112 of file vpmg.h.
Indicates whether Vpmg_fillco has been called
Definition at line 135 of file vpmg.h.
Boundary conditions for x faces
Definition at line 118 of file vpmg.h.
Boundary conditions for y faces
Definition at line 119 of file vpmg.h.
Boundary conditions for z faces
Definition at line 120 of file vpmg.h.
Passing int parameters to FORTRAN
Definition at line 101 of file vpmg.h.
Work array
Definition at line 103 of file vpmg.h.
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.
Potential map
Definition at line 98 of file vpmg.h.
External potential map
Definition at line 151 of file vpmg.h.
Partition mask array
Definition at line 121 of file vpmg.h.
Passing real parameters to FORTRAN
Definition at line 102 of file vpmg.h.
Work array
Definition at line 104 of file vpmg.h.
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.
True solution
Definition at line 113 of file vpmg.h.
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.
Indicates whether Vpmg_fillco was called with an external potential map
Definition at line 149 of file vpmg.h.
Memory management object for this class
Definition at line 90 of file vpmg.h.
Mesh point x coordinates
Definition at line 115 of file vpmg.h.
Mesh point y coordinates
Definition at line 116 of file vpmg.h.
Mesh point z coordinates
Definition at line 117 of file vpmg.h.
The documentation for this struct was generated from the following file: