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root/group/trunk/OOPSE_old/src/mdtools/libBASS/Globals.hpp
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Comparing trunk/OOPSE_old/src/mdtools/libBASS/Globals.hpp (file contents):
Revision 267 by mmeineke, Thu Feb 13 20:37:36 2003 UTC vs.
Revision 285 by mmeineke, Wed Feb 26 18:45:57 2003 UTC

# Line 43 | Line 43 | class Globals{ (public)
43    double getThermalTime( void )     { return thermal_time; }
44    double getDielectric( void )      { return dielectric; }
45    double getRRF( void)              { return rRF; }
46 <  int    getTempSet( void )         { return tempSet; }
46 >  int        getTempSet( void )         { return tempSet; }
47 >  int        getPBC( void ) {return usePBC;}
48 >  char* getMixingRule( void) { return mixingRule;}
49    
48 –  
50    short int haveInitialConfig( void ) { return have_initial_config; }
51    short int haveFinalConfig( void )   { return have_final_config; }
52    short int haveNMol( void )          { return have_n_mol; }
# Line 61 | Line 62 | class Globals{ (public)
62    short int haveDielectric( void )    { return have_dielectric; }
63    short int haveTempSet( void )       { return have_tempSet; }
64    
64 –  
65    /* other accessors */
66    Component** getComponents( void ) { return components; }
67    
# Line 81 | Line 81 | class Globals{ (public)
81    int n_components;
82    double target_temp;
83    char ensemble[100];
84 +  char mixingRule[100];
85    double dt;
86    double run_time;
87    char initial_config[120];
# Line 95 | Line 96 | class Globals{ (public)
96    double rRF;
97    double dielectric;
98    int tempSet;
99 <  
99 >  int usePBC;
100 >
101    //required arguments
102    short int have_force_field, have_n_components, have_target_temp;
103    short int have_ensemble, have_dt, have_run_time;
# Line 105 | Line 107 | class Globals{ (public)
107    short int have_density, have_box, have_box_x, have_box_y, have_box_z;
108    short int have_sample_time, have_status_time, have_rrf, have_dielectric;
109    short int have_tempSet, have_thermal_time;
110 +  
111 +
112   };
113  
114   #endif

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