00001 /* 00002 // File: params.h < params.c > 00003 // 00004 // Purpose: 00005 // Class that holds necessary parameters, used especially for user interface 00006 // most values occur in other classes as duplicate 00008 00060 #ifndef _PARAMS_H_ 00064 #define _PARAMS_H_ 1 00065 00066 #include"isim/various.h" 00067 #include"maloc/maloc.h" 00068 00077 typedef struct params{ 00078 00079 int steps; 00080 int GCsteps; 00081 int MCsteps; 00082 int minsteps; 00083 char MCmode; 00084 int howmany; 00085 double maxdis; 00086 double pminnr; 00088 int equicut; 00089 int coordsoutgo; 00090 int gridres; 00091 int potfreq; 00092 int potoutgo; 00093 int ndensoutgo; 00094 int cdensoutgo; 00095 int pcoutgo; 00096 int pcfreq; 00097 double pcres; 00098 int exshells; 00100 double temp; 00101 double releps; 00102 char GENmode; 00103 int types; 00104 char ionmodel; 00105 char form; 00106 double rad; 00107 double length; 00109 char macroID; 00110 char *filename; 00111 double Bornrad; 00112 double Borncharge; 00113 double Cylrad; 00114 double Cyllen; 00115 double Cylcharge; 00116 char mmmode; 00117 int mmgridres; 00118 char *potfilename; 00119 char *potreffname; 00120 int bcflag; 00122 char *ionname[20]; 00123 double *sig; 00124 double *conc; 00125 double *eps; 00126 double *charge; 00128 } params; 00129 00130 #ifndef _PARAMS_INLINES_ 00131 00132 #else 00133 00134 #endif /* ifndef _PARAMS_INLINES_ */ 00135 00141 params* params_ctor(); 00142 00150 void params_dtor(params *thee); 00151 00160 void params_read(params *thee, char *inputpath); 00161 00162 00163 #endif /* ifndef _PARAMS_H_ */ 00164 00165
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