#include <vpmg.h>
Collaboration diagram for sVpmg:

Data Fields | |
| Vmem * | vmem |
| Vpmgp * | pmgp |
| Vpbe * | pbe |
| double * | epsx |
| double * | epsy |
| double * | epsz |
| double * | kappa |
| 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 |
| int | filled |
| int | useDielXMap |
| Vgrid * | dielXMap |
| int | useDielYMap |
| Vgrid * | dielYMap |
| int | useDielZMap |
| Vgrid * | dielZMap |
| int | useKappaMap |
| Vgrid * | kappaMap |
| int | useChargeMap |
| Vgrid * | chargeMap |
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Operator coefficient values (a11) -- this array can be overwritten |
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Operator coefficient values (a22) -- this array can be overwritten |
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Operator coefficient values (a33) -- this array can be overwritten |
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Helmholtz term -- this array can be overwritten |
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Charge map |
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External charge distribution map |
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Charge discretization method |
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External x-shifted dielectric map |
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External y-shifted dielectric map |
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External z-shifted dielectric map |
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X-shifted dielectric map |
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Y-shifted dielectric map |
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Y-shifted dielectric map |
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Stores contributions to the dielectric energy from regions outside the problem domain |
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Stores contributions to the apolar energy from regions outside the problem domain |
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Stores contributions to the fixed charge energy from regions outside the problem domain |
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Stores contributions to the mobile ion energy from regions outside the problem domain |
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Right-hand side -- this array can be overwritten |
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Indicates whether Vpmg_fillco has been called |
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Boundary conditions for x faces |
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Boundary conditions for y faces |
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Boundary conditions for z faces |
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Passing int parameters to FORTRAN |
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Work array |
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Ion accessibility map (0 <= kappa(x) <= 1) |
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External kappa map |
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Information about the PBE system |
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Parameters |
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Partition mask array |
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Passing real parameters to FORTRAN |
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Work array |
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Spline window parm for surf defs |
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Surface definition method |
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True solution |
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Solution |
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Indicates whether Vpmg_fillco was called with an external charge distribution map |
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Indicates whether Vpmg_fillco was called with an external x-shifted dielectric map |
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Indicates whether Vpmg_fillco was called with an external y-shifted dielectric map |
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Indicates whether Vpmg_fillco was called with an external z-shifted dielectric map |
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Indicates whether Vpmg_fillco was called with an external kappa map |
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Memory management object for this class |
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Mesh point x coordinates |
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Mesh point y coordinates |
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Mesh point z coordinates |
1.3.5