67#include "maloc/maloc.h"
73#include "generic/apolparm.h"
76#include "generic/bemparm.h"
87#define NOSH_MAXCALC 20
91#define NOSH_MAXPRINT 20
Contains declarations for class APOLparm.
Contains declarations for class GEOFLOWparm.
#define NOSH_MAXCALC
Maximum number of calculations in a run.
enum eNOsh_MolFormat NOsh_MolFormat
Declare NOsh_MolFormat type.
#define NOSH_MAXMOL
Maximum number of molecules in a run.
#define NOSH_MAXPRINT
Maximum number of PRINT statements in a run.
eNOsh_MolFormat
Molecule file format types.
#define NOSH_MAXPOP
Maximum number of operations in a PRINT statement.
enum eNOsh_PrintType NOsh_PrintType
Declare NOsh_PrintType type.
eNOsh_CalcType
NOsh calculation types.
eNOsh_ParmFormat
Parameter file format types.
enum eNOsh_CalcType NOsh_CalcType
Declare NOsh_CalcType type.
VEXTERNC int NOsh_setupApolCalc(NOsh *thee, Valist *alist[NOSH_MAXMOL])
Setup the series of non-polar calculations.
enum eNOsh_ParmFormat NOsh_ParmFormat
Declare NOsh_ParmFormat type.
eNOsh_PrintType
NOsh print types.
enum eVdata_Format Vdata_Format
Declaration of the Vdata_Format type as the Vdata_Format enum.
Contains declarations for class MGparm.
Contains declarations for class PBAMparm.
Contains declarations for class PBEparm.
Contains declarations for class PBSAMparm.
Parameter structure for APOL-specific variables from input files.
Parameter structure for BEM-specific variables from input files.
Parameter structure for FEM-specific variables from input files.
Parameter structure for GEOFLOW-specific variables from input files.
Parameter structure for MG-specific variables from input files.
Calculation class for use when parsing fixed format input files.
GEOFLOWparm * geoflowparm
Class for parsing fixed format input files.
char apolname[NOSH_MAXCALC][VMAX_ARGLEN]
char chargepath[NOSH_MAXMOL][VMAX_ARGLEN]
Valist * alist[NOSH_MAXMOL]
char elecname[NOSH_MAXCALC][VMAX_ARGLEN]
char dielZpath[NOSH_MAXMOL][VMAX_ARGLEN]
NOsh_calc * elec[NOSH_MAXCALC]
Vdata_Format meshfmt[NOSH_MAXMOL]
NOsh_calc * apol[NOSH_MAXCALC]
char kappapath[NOSH_MAXMOL][VMAX_ARGLEN]
char dielXpath[NOSH_MAXMOL][VMAX_ARGLEN]
int printnarg[NOSH_MAXPRINT]
NOsh_calc * calc[NOSH_MAXCALC]
char meshpath[NOSH_MAXMOL][VMAX_ARGLEN]
char potpath[NOSH_MAXMOL][VMAX_ARGLEN]
Vdata_Format potfmt[NOSH_MAXMOL]
int printcalc[NOSH_MAXPRINT][NOSH_MAXPOP]
char molpath[NOSH_MAXMOL][VMAX_ARGLEN]
Vdata_Format kappafmt[NOSH_MAXMOL]
NOsh_MolFormat molfmt[NOSH_MAXMOL]
char parmpath[VMAX_ARGLEN]
int apol2calc[NOSH_MAXCALC]
Vdata_Format chargefmt[NOSH_MAXMOL]
NOsh_PrintType printwhat[NOSH_MAXPRINT]
int elec2calc[NOSH_MAXCALC]
Vdata_Format dielfmt[NOSH_MAXMOL]
char dielYpath[NOSH_MAXMOL][VMAX_ARGLEN]
int printop[NOSH_MAXPRINT][NOSH_MAXPOP]
Parameter structure for PBAM-specific variables from input files.
Parameter structure for PBE variables from input files.
Parameter structure for PBSAM-specific variables from input files.
Container class for list of atom objects.
Contains declarations for class Valist.
Contains generic macro definitions for APBS.
Contains declarations for class Vstring.