A "class" which consists solely of macro definitions which are used by several other classes.
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#define | APBS_TIMER_WALL_CLOCK 26 |
| APBS total execution timer ID.
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#define | APBS_TIMER_SETUP 27 |
| APBS setup timer ID.
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#define | APBS_TIMER_SOLVER 28 |
| APBS solver timer ID.
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#define | APBS_TIMER_ENERGY 29 |
| APBS energy timer ID.
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#define | APBS_TIMER_FORCE 30 |
| APBS force timer ID.
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#define | APBS_TIMER_TEMP1 31 |
| APBS temp timer #1 ID.
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#define | APBS_TIMER_TEMP2 32 |
| APBS temp timer #2 ID.
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#define | MAXMOL 5 |
| The maximum number of molecules that can be involved in a single PBE calculation.
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#define | MAXION 10 |
| The maximum number of ion species that can be involved in a single PBE calculation.
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#define | MAXFOCUS 5 |
| The maximum number of times an MG calculation can be focused.
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#define | VMGNLEV 4 |
| Minimum number of levels in a multigrid calculations.
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#define | VREDFRAC 0.25 |
| Maximum reduction of grid spacing during a focusing calculation.
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#define | VAPBS_NVS 4 |
| Number of vertices per simplex (hard-coded to 3D)
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#define | VAPBS_DIM 3 |
| Our dimension.
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#define | VAPBS_RIGHT 0 |
| Face definition for a volume.
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#define | VAPBS_FRONT 1 |
| Face definition for a volume.
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#define | VAPBS_UP 2 |
| Face definition for a volume.
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#define | VAPBS_LEFT 3 |
| Face definition for a volume.
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#define | VAPBS_BACK 4 |
| Face definition for a volume.
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#define | VAPBS_DOWN 5 |
| Face definition for a volume.
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#define | VPMGSMALL 1e-12 |
| A small number used in Vpmg to decide if points are on/off grid-lines or non-zer0 (etc.)
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#define | SINH_MIN -85.0 |
| Used to set the min values acceptable for sinh chopping.
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#define | SINH_MAX 85.0 |
| Used to set the max values acceptable for sinh chopping.
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#define | VF77_MANGLE(name, NAME) name |
| Name-mangling macro for using FORTRAN functions in C code.
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#define | VFLOOR(value) floor(value) |
| Wrapped floor to fix floating point issues in the Intel compiler.
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#define | VEMBED(rctag) |
| Allows embedding of RCS ID tags in object files.
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enum | eVrc_Codes { VRC_WARNING =-1
, VRC_FAILURE =0
, VRC_SUCCESS =1
} |
| Return code enumerations. More...
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enum | eVsol_Meth {
VSOL_CGMG
, VSOL_Newton
, VSOL_MG
, VSOL_CG
,
VSOL_SOR
, VSOL_RBGS
, VSOL_WJ
, VSOL_Richardson
,
VSOL_CGMGAqua
, VSOL_NewtonAqua
} |
| Solution Method enumerations. More...
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enum | eVsurf_Meth {
VSM_MOL =0
, VSM_MOLSMOOTH =1
, VSM_SPLINE =2
, VSM_SPLINE3 =3
,
VSM_SPLINE4 =4
} |
| Types of molecular surface definitions. More...
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enum | eVhal_PBEType {
PBE_LPBE
, PBE_NPBE
, PBE_LRPBE
, PBE_NRPBE
,
PBE_SMPBE
} |
| Version of PBE to solve. More...
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enum | eVhal_IPKEYType { IPKEY_SMPBE = -2
, IPKEY_LPBE
, IPKEY_NPBE
} |
| Type of ipkey to use for MG methods. More...
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enum | eVhal_NONLINType {
NONLIN_LPBE = 0
, NONLIN_NPBE
, NONLIN_SMPBE
, NONLIN_LPBEAQUA
,
NONLIN_NPBEAQUA
} |
| Type of nonlinear to use for MG methods. More...
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enum | eVoutput_Format { OUTPUT_NULL
, OUTPUT_FLAT
} |
| Output file format. More...
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enum | eVbcfl {
BCFL_ZERO =0
, BCFL_SDH =1
, BCFL_MDH =2
, BCFL_UNUSED =3
,
BCFL_FOCUS =4
, BCFL_MEM =5
, BCFL_MAP =6
} |
| Types of boundary conditions. More...
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enum | eVchrg_Meth { VCM_TRIL =0
, VCM_BSPL2 =1
, VCM_BSPL4 =2
} |
| Types of charge discretization methods. More...
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enum | eVchrg_Src { VCM_CHARGE =0
, VCM_PERMANENT =1
, VCM_INDUCED =2
, VCM_NLINDUCED =3
} |
| Charge source. More...
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enum | eVdata_Type {
VDT_CHARGE
, VDT_POT
, VDT_ATOMPOT
, VDT_SMOL
,
VDT_SSPL
, VDT_VDW
, VDT_IVDW
, VDT_LAP
,
VDT_EDENS
, VDT_NDENS
, VDT_QDENS
, VDT_DIELX
,
VDT_DIELY
, VDT_DIELZ
, VDT_KAPPA
} |
| Types of (scalar) data that can be written out of APBS. More...
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enum | eVdata_Format {
VDF_DX =0
, VDF_UHBD =1
, VDF_AVS =2
, VDF_MCSF =3
,
VDF_GZ =4
, VDF_FLAT =5
, VDF_DXBIN =6
} |
| Format of data for APBS I/O. More...
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A "class" which consists solely of macro definitions which are used by several other classes.