Contains public data members for Vpmg class/module.
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#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.
Operator coefficient values (a11) – this array can be overwritten
Definition at line 138 of file vpmg.h.
Operator coefficient values (a22) – this array can be overwritten
Definition at line 140 of file vpmg.h.
Operator coefficient values (a33) – this array can be overwritten
Definition at line 142 of file vpmg.h.
Helmholtz term – this array can be overwritten
Definition at line 144 of file vpmg.h.
Charge map
Definition at line 132 of file vpmg.h.
External charge distribution map
Definition at line 188 of file vpmg.h.
Charge discretization method
Definition at line 165 of file vpmg.h.
Charge source
Definition at line 166 of file vpmg.h.
External x-shifted dielectric map
Definition at line 172 of file vpmg.h.
External y-shifted dielectric map
Definition at line 175 of file vpmg.h.
External z-shifted dielectric map
Definition at line 178 of file vpmg.h.
X-shifted dielectric map
Definition at line 127 of file vpmg.h.
Y-shifted dielectric map
Definition at line 128 of file vpmg.h.
Y-shifted dielectric map
Definition at line 129 of file vpmg.h.
Stores contributions to the dielectric energy from regions outside the problem domain
Definition at line 155 of file vpmg.h.
Stores contributions to the apolar energy from regions outside the problem domain
Definition at line 161 of file vpmg.h.
Stores contributions to the fixed charge energy from regions outside the problem domain
Definition at line 159 of file vpmg.h.
Stores contributions to the mobile ion energy from regions outside the problem domain
Definition at line 157 of file vpmg.h.
Right-hand side – this array can be overwritten
Definition at line 145 of file vpmg.h.
Indicates whether Vpmg_fillco has been called
Definition at line 168 of file vpmg.h.
Boundary conditions for x faces
Definition at line 151 of file vpmg.h.
Boundary conditions for y faces
Definition at line 152 of file vpmg.h.
Boundary conditions for z faces
Definition at line 153 of file vpmg.h.
Passing int parameters to FORTRAN
Definition at line 134 of file vpmg.h.
Work array
Definition at line 136 of file vpmg.h.
Ion accessibility map (0 <= kappa(x) <= 1)
Definition at line 130 of file vpmg.h.
External kappa map
Definition at line 181 of file vpmg.h.
Information about the PBE system
Definition at line 120 of file vpmg.h.
Parameters
Definition at line 119 of file vpmg.h.
Potential map
Definition at line 131 of file vpmg.h.
External potential map
Definition at line 184 of file vpmg.h.
Partition mask array
Definition at line 154 of file vpmg.h.
Passing real parameters to FORTRAN
Definition at line 135 of file vpmg.h.
Work array
Definition at line 137 of file vpmg.h.
Spline window parm for surf defs
Definition at line 164 of file vpmg.h.
Surface definition method
Definition at line 163 of file vpmg.h.
True solution
Definition at line 146 of file vpmg.h.
Solution
Definition at line 147 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external charge distribution map
Definition at line 186 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external x-shifted dielectric map
Definition at line 170 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external y-shifted dielectric map
Definition at line 173 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external z-shifted dielectric map
Definition at line 176 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external kappa map
Definition at line 179 of file vpmg.h.
Indicates whether Vpmg_fillco was called with an external potential map
Definition at line 182 of file vpmg.h.
Memory management object for this class
Definition at line 118 of file vpmg.h.
Mesh point x coordinates
Definition at line 148 of file vpmg.h.
Mesh point y coordinates
Definition at line 149 of file vpmg.h.
Mesh point z coordinates
Definition at line 150 of file vpmg.h.
The documentation for this struct was generated from the following file: