67 #include "maloc/maloc.h" 73 #include "generic/apolparm.h" 76 #include "generic/bemparm.h" 83 #define NOSH_MAXMOL 20 87 #define NOSH_MAXCALC 20 91 #define NOSH_MAXPRINT 20 95 #define NOSH_MAXPOP 20 Contains declarations for class Valist.
VEXTERNC int NOsh_setupApolCalc(NOsh *thee, Valist *alist[NOSH_MAXMOL])
Setup the series of non-polar calculations.
Vdata_Format meshfmt[NOSH_MAXMOL]
eNOsh_PrintType
NOsh print types.
Parameter structure for GEOFLOW-specific variables from input files.
enum eVdata_Format Vdata_Format
Declaration of the Vdata_Format type as the Vdata_Format enum.
int apol2calc[NOSH_MAXCALC]
#define NOSH_MAXMOL
Maximum number of molecules in a run.
Vdata_Format dielfmt[NOSH_MAXMOL]
#define NOSH_MAXPRINT
Maximum number of PRINT statements in a run.
char potpath[NOSH_MAXMOL][VMAX_ARGLEN]
Parameter structure for PBAM-specific variables from input files.
eNOsh_ParmFormat
Parameter file format types.
NOsh_PrintType printwhat[NOSH_MAXPRINT]
enum eNOsh_PrintType NOsh_PrintType
Declare NOsh_PrintType type.
char elecname[NOSH_MAXCALC][VMAX_ARGLEN]
Contains declarations for class APOLparm.
eNOsh_MolFormat
Molecule file format types.
NOsh_calc * calc[NOSH_MAXCALC]
Contains declarations for class PBSAMparm.
GEOFLOWparm * geoflowparm
char dielXpath[NOSH_MAXMOL][VMAX_ARGLEN]
Contains declarations for class MGparm.
#define NOSH_MAXPOP
Maximum number of operations in a PRINT statement.
Vdata_Format potfmt[NOSH_MAXMOL]
NOsh_calc * elec[NOSH_MAXCALC]
Contains declarations for class PBAMparm.
Vdata_Format kappafmt[NOSH_MAXMOL]
Parameter structure for PBSAM-specific variables from input files.
Parameter structure for BEM-specific variables from input files.
Contains declarations for class Vstring.
Parameter structure for FEM-specific variables from input files.
eNOsh_CalcType
NOsh calculation types.
int printcalc[NOSH_MAXPRINT][NOSH_MAXPOP]
Contains generic macro definitions for APBS.
Contains declarations for class PBEparm.
NOsh_MolFormat molfmt[NOSH_MAXMOL]
char chargepath[NOSH_MAXMOL][VMAX_ARGLEN]
Valist * alist[NOSH_MAXMOL]
Parameter structure for PBE variables from input files.
enum eNOsh_ParmFormat NOsh_ParmFormat
Declare NOsh_ParmFormat type.
Contains declarations for class GEOFLOWparm.
int printnarg[NOSH_MAXPRINT]
enum eNOsh_CalcType NOsh_CalcType
Declare NOsh_CalcType type.
NOsh_calc * apol[NOSH_MAXCALC]
char dielZpath[NOSH_MAXMOL][VMAX_ARGLEN]
Parameter structure for MG-specific variables from input files.
Vdata_Format chargefmt[NOSH_MAXMOL]
Container class for list of atom objects.
Class for parsing fixed format input files.
char meshpath[NOSH_MAXMOL][VMAX_ARGLEN]
Calculation class for use when parsing fixed format input files.
int elec2calc[NOSH_MAXCALC]
#define NOSH_MAXCALC
Maximum number of calculations in a run.
enum eNOsh_MolFormat NOsh_MolFormat
Declare NOsh_MolFormat type.
char parmpath[VMAX_ARGLEN]
int printop[NOSH_MAXPRINT][NOSH_MAXPOP]
char molpath[NOSH_MAXMOL][VMAX_ARGLEN]
char apolname[NOSH_MAXCALC][VMAX_ARGLEN]
Parameter structure for APOL-specific variables from input files.
char dielYpath[NOSH_MAXMOL][VMAX_ARGLEN]
char kappapath[NOSH_MAXMOL][VMAX_ARGLEN]