--- trunk/OOPSE/libBASS/Globals.hpp 2003/04/08 17:16:22 480 +++ trunk/OOPSE/libBASS/Globals.hpp 2003/04/08 21:35:49 481 @@ -28,7 +28,8 @@ class Globals{ (public) double getTargetTemp( void ) { return target_temp; } double getTargetPressure( void ) { return target_pressure; } double getQmass( void ) { return q_mass; } - double getTauRelax( void ) { return tau_relax; } + double getTauThermostat( void ) { return tau_thermostat; } + double getTauBarostat( void ) { return tau_barostat; } char* getEnsemble( void ) { return ensemble; } double getDt( void ) { return dt; } double getRunTime( void ) { return run_time; } @@ -69,7 +70,8 @@ class Globals{ (public) short int haveTempSet( void ) { return have_tempSet; } short int haveTargetPressure( void ){ return have_target_pressure; } short int haveQmass( void ) { return have_q_mass; } - short int haveTauRelax( void ) { return have_tau_relax;} + short int haveTauThermostat( void ) { return have_tau_thermostat;} + short int haveTauBarostat( void ) { return have_tau_barostat;} /* other accessors */ Component** getComponents( void ) { return components; } @@ -110,7 +112,8 @@ class Globals{ (public) int usePBC; int useRF; double q_mass; - double tau_relax; + double tau_thermostat; + double tau_barostat; //required arguments short int have_force_field, have_n_components, have_target_temp; @@ -121,7 +124,7 @@ class Globals{ (public) short int have_density, have_box, have_box_x, have_box_y, have_box_z; short int have_sample_time, have_status_time, have_ecr, have_dielectric; short int have_tempSet, have_thermal_time, have_est, have_q_mass; - short int have_tau_relax; + short int have_tau_thermostat, have_tau_barostat; };