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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 689 by tim, Tue Aug 12 19:56:49 2003 UTC vs.
Revision 706 by mmeineke, Wed Aug 20 19:41:37 2003 UTC

# Line 20 | Line 20 | class Globals{ (public)
20    
21    Globals();
22    ~Globals();
23 –
24 –  void printIC( void ) { std::cerr << "initialConfig = " << initial_config << "\n"; }
23    
24    int newComponent( event* the_event );
25    int componentAssign( event* the_event );
# Line 47 | Line 45 | class Globals{ (public)
45    
46  
47    int    getNzConstraints( void )   { return n_zConstraints; }
48 <  char*  getInitialConfig( void )   { std::cerr << "giving away " << initial_config << "\n"; return initial_config; }
48 >  char*  getInitialConfig( void )   { return initial_config; }
49    char*  getFinalConfig( void )     { return final_config; }
50    int    getNMol( void )            { return n_mol; }
51    double getDensity( void )         { return density; }
# Line 67 | Line 65 | class Globals{ (public)
65    char*  getMixingRule( void)       { return mixingRule;}
66    double getZconsTime(void)         { return zcons_time;}
67    double getZconsTol(void)    { return zcons_tol;}
68 +  char* getZconsForcePolicy(void)  { return zconsForcePolicy;}
69    
70    short int haveInitialConfig( void ) { return have_initial_config; }
71    short int haveFinalConfig( void )   { return have_final_config; }
# Line 90 | Line 89 | class Globals{ (public)
89    short int haveZconstraintTime(void) { return have_zcons_time; }
90    short int haveZconstraints( void )  { return have_zConstraints;}
91    short int haveZconsTol(void) {return have_zcons_tol;}
92 +  short int haveZconsForcePolicy(void) { return have_zcons_force_policy;}
93    
94    /* other accessors */
95    Component** getComponents( void ) { return components; }
# Line 140 | Line 140 | class Globals{ (public)
140    double tau_barostat;
141    double zcons_time;    
142    double zcons_tol;
143 +  char zconsForcePolicy[100];
144 +  int seed;
145  
146 +
147    //required arguments
148    short int have_force_field, have_n_components, have_target_temp;
149    short int have_target_pressure, have_ensemble, have_dt, have_run_time;
# Line 151 | Line 154 | class Globals{ (public)
154    short int have_sample_time, have_status_time, have_ecr, have_dielectric;
155    short int have_tempSet, have_thermal_time, have_est, have_q_mass;
156    short int have_tau_thermostat, have_tau_barostat;
157 <  short int have_zcons_time, have_zConstraints, have_n_zConstraints, have_zcons_tol;  
157 >  short int have_zcons_time, have_zConstraints, have_n_zConstraints;
158 >  short int have_zcons_tol, have_seed;  
159 >  short int have_zcons_force_policy;
160  
161   };
162  

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