APBS
1.4.1
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Parameter structure for MG-specific variables from input files. More...
#include </builddir/build/BUILD/apbs/src/generic/mgparm.h>
Data Fields | |
MGparm_CalcType | type |
int | parsed |
int | dime [3] |
int | setdime |
Vchrg_Meth | chgm |
int | setchgm |
Vchrg_Src | chgs |
int | nlev |
int | setnlev |
double | etol |
int | setetol |
double | grid [3] |
int | setgrid |
double | glen [3] |
int | setglen |
MGparm_CentMeth | cmeth |
double | center [3] |
int | centmol |
int | setgcent |
double | cglen [3] |
int | setcglen |
double | fglen [3] |
int | setfglen |
MGparm_CentMeth | ccmeth |
double | ccenter [3] |
int | ccentmol |
int | setcgcent |
MGparm_CentMeth | fcmeth |
double | fcenter [3] |
int | fcentmol |
int | setfgcent |
double | partDisjCenter [3] |
double | partDisjLength [3] |
int | partDisjOwnSide [6] |
int | pdime [3] |
int | setpdime |
int | proc_rank |
int | setrank |
int | proc_size |
int | setsize |
double | ofrac |
int | setofrac |
int | async |
int | setasync |
int | nonlintype |
int | setnonlintype |
int | method |
int | setmethod |
int | useAqua |
int | setUseAqua |
Parameter structure for MG-specific variables from input files.
int ccentmol |
MGparm_CentMeth ccmeth |
double center[3] |
Grid center. If ispart = 0, then this is only meaningful if cmeth = 0. However, if ispart = 1 and cmeth = MCM_PNT, then this is the center of the non-disjoint (overlapping) partition. If ispart = 1 and cmeth = MCM_MOL, then this is the vector that must be added to the center of the molecule to give the center of the non-disjoint partition.
int centmol |
Vchrg_Meth chgm |
Vchrg_Src chgs |
MGparm_CentMeth cmeth |
int fcentmol |
MGparm_CentMeth fcmeth |
int nlev |
int parsed |
double partDisjCenter[3] |
double partDisjLength[3] |
int partDisjOwnSide[6] |
int setnonlintype |
MGparm_CalcType type |