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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 675 by mmeineke, Mon Aug 11 19:38:44 2003 UTC vs.
Revision 682 by tim, Tue Aug 12 17:51:33 2003 UTC

# Line 61 | Line 61 | class Globals{ (public)
61    int    getPBC( void )             { return usePBC;}
62    int    getUseRF( void )           { return useRF;}
63    char*  getMixingRule( void)       { return mixingRule;}
64 <  double getZConsTime(void)         { return zcons_time;}
64 >  double getZconsTime(void)         { return zcons_time;}
65 >  double getZconsTol(void)    { return zcons_tol;}
66    
67    short int haveInitialConfig( void ) { return have_initial_config; }
68    short int haveFinalConfig( void )   { return have_final_config; }
# Line 82 | Line 83 | class Globals{ (public)
83    short int haveQmass( void )         { return have_q_mass; }
84    short int haveTauThermostat( void ) { return have_tau_thermostat;}
85    short int haveTauBarostat( void )   { return have_tau_barostat;}
86 <  short int haveZconstraintTime(void) { return have_zcon_time; }
86 >  short int haveZconstraintTime(void) { return have_zcons_time; }
87    short int haveZconstraints( void )  { return have_zConstraints;}
88 +  short int haveZconsTol(void) {return have_zcons_tol;}
89    
90    /* other accessors */
91    Component** getComponents( void ) { return components; }
92 <  ZconStamp** getZconstraints( void ) { return zConstraints; }
92 >  ZconStamp** getZconStamp( void ) { return zConstraints; }
93    
94   private:
95    
# Line 132 | Line 134 | class Globals{ (public)
134    double q_mass;
135    double tau_thermostat;
136    double tau_barostat;
137 <  double zcons_time;
137 >  double zcons_time;    
138 >  double zcons_tol;
139  
140    //required arguments
141    short int have_force_field, have_n_components, have_target_temp;
# Line 144 | Line 147 | class Globals{ (public)
147    short int have_sample_time, have_status_time, have_ecr, have_dielectric;
148    short int have_tempSet, have_thermal_time, have_est, have_q_mass;
149    short int have_tau_thermostat, have_tau_barostat;
150 <  short int have_zcon_time, have_zConstraints, have_n_zConstraints;  
150 >  short int have_zcons_time, have_zConstraints, have_n_zConstraints, have_zcons_tol;  
151  
152   };
153  

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