APBS
1.5
|
Parameter structure for PBE variables from input files. More...
#include </builddir/build/BUILD/apbs-pdb2pqr-apbs-1.5/apbs/src/generic/pbeparm.h>
Data Fields | |
int | molid |
int | setmolid |
int | useDielMap |
int | dielMapID |
int | useKappaMap |
int | kappaMapID |
int | usePotMap |
int | potMapID |
int | useChargeMap |
int | chargeMapID |
Vhal_PBEType | pbetype |
int | setpbetype |
Vbcfl | bcfl |
int | setbcfl |
int | nion |
int | setnion |
double | ionq [MAXION] |
double | ionc [MAXION] |
double | ionr [MAXION] |
int | setion [MAXION] |
double | pdie |
int | setpdie |
double | sdens |
int | setsdens |
double | sdie |
int | setsdie |
Vsurf_Meth | srfm |
int | setsrfm |
double | srad |
int | setsrad |
double | swin |
int | setswin |
double | temp |
int | settemp |
double | smsize |
int | setsmsize |
double | smvolume |
int | setsmvolume |
PBEparm_calcEnergy | calcenergy |
int | setcalcenergy |
PBEparm_calcForce | calcforce |
int | setcalcforce |
double | zmem |
int | setzmem |
double | Lmem |
int | setLmem |
double | mdie |
int | setmdie |
double | memv |
int | setmemv |
int | numwrite |
char | writestem [PBEPARM_MAXWRITE][VMAX_ARGLEN] |
Vdata_Type | writetype [PBEPARM_MAXWRITE] |
Vdata_Format | writefmt [PBEPARM_MAXWRITE] |
int | writemat |
int | setwritemat |
char | writematstem [VMAX_ARGLEN] |
int | writematflag |
int | parsed |
Parameter structure for PBE variables from input files.
PBEparm_calcEnergy calcenergy |
PBEparm_calcForce calcforce |
int parsed |
Vhal_PBEType pbetype |
int setcalcenergy |
Vsurf_Meth srfm |
int useChargeMap |
int useDielMap |
int useKappaMap |
int usePotMap |
Vdata_Format writefmt[PBEPARM_MAXWRITE] |
int writemat |
int writematflag |
char writestem[PBEPARM_MAXWRITE][VMAX_ARGLEN] |
Vdata_Type writetype[PBEPARM_MAXWRITE] |