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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 706 by mmeineke, Wed Aug 20 19:41:37 2003 UTC

# Line 1 | Line 1
1   #ifndef __GLOBALS_H__
2   #define __GLOBALS_H__
3  
4 + #include <iostream>
5 +
6   #include <cstdlib>
7   #include <vector>
8  
# Line 61 | Line 63 | class Globals{ (public)
63    int    getPBC( void )             { return usePBC;}
64    int    getUseRF( void )           { return useRF;}
65    char*  getMixingRule( void)       { return mixingRule;}
66 <  double getZConsTime(void)         { return zcons_time;}
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 82 | Line 86 | class Globals{ (public)
86    short int haveQmass( void )         { return have_q_mass; }
87    short int haveTauThermostat( void ) { return have_tau_thermostat;}
88    short int haveTauBarostat( void )   { return have_tau_barostat;}
89 <  short int haveZconstraintTime(void) { return have_zcon_time; }
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; }
96 <  ZconStamp** getZconstraints( void ) { return zConstraints; }
96 >  ZconStamp** getZconStamp( void ) { return zConstraints; }
97    
98   private:
99    
# Line 132 | Line 138 | class Globals{ (public)
138    double q_mass;
139    double tau_thermostat;
140    double tau_barostat;
141 <  double zcons_time;
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 144 | 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_zcon_time, have_zConstraints, have_n_zConstraints;  
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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