| 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; } | 
| 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; | 
| 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; |