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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 394 by gezelter, Mon Mar 24 21:55:34 2003 UTC vs.
Revision 465 by gezelter, Mon Apr 7 14:30:12 2003 UTC

# Line 26 | Line 26 | class Globals{ (public)
26    char*  getForceField( void )      { return force_field; }
27    int    getNComponents( void )     { return n_components; }
28    double getTargetTemp( void )      { return target_temp; }
29 +  double getTargetPressure( void )  { return target_pressure; }
30    char*  getEnsemble( void )        { return ensemble; }
31    double getDt( void )              { return dt; }
32    double getRunTime( void )         { return run_time; }
# Line 83 | Line 84 | class Globals{ (public)
84    char force_field[100];
85    int n_components;
86    double target_temp;
87 +  double target_pressure;
88    char ensemble[100];
89    char mixingRule[100];
90    double dt;
# Line 105 | Line 107 | class Globals{ (public)
107  
108    //required arguments
109    short int have_force_field, have_n_components, have_target_temp;
110 <  short int have_ensemble, have_dt, have_run_time;
110 >  short int have_target_pressure, have_ensemble, have_dt, have_run_time;
111    
112    // optional arguments
113    short int have_initial_config, have_final_config, have_n_mol;

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