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#define __GLOBALS_H__ |
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#include <cstdlib> |
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#include <vector> |
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#include "BASS_interface.h" |
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#include "Component.hpp" |
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#include "LinkedCommand.hpp" |
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#include "MakeStamps.hpp" |
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using namespace std; |
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class Globals{ |
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public: |
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double getTargetTemp( void ) { return target_temp; } |
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double getTargetPressure( void ) { return target_pressure; } |
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double getQmass( void ) { return q_mass; } |
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double getTauRelax( void ) { return tau_relax; } |
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double getTauThermostat( void ) { return tau_thermostat; } |
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double getTauBarostat( void ) { return tau_barostat; } |
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char* getEnsemble( void ) { return ensemble; } |
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double getDt( void ) { return dt; } |
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double getRunTime( void ) { return run_time; } |
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int getPBC( void ) { return usePBC;} |
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int getUseRF( void ) { return useRF;} |
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char* getMixingRule( void) { return mixingRule;} |
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double getZConsTime(void) { return zcons_time;} |
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vector<int> getIndexOfAllZConsMols(void){ return zconsMolIndex;} |
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short int haveInitialConfig( void ) { return have_initial_config; } |
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short int haveFinalConfig( void ) { return have_final_config; } |
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short int haveTempSet( void ) { return have_tempSet; } |
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short int haveTargetPressure( void ){ return have_target_pressure; } |
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short int haveQmass( void ) { return have_q_mass; } |
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short int haveTauRelax( void ) { return have_tau_relax;} |
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short int haveTauThermostat( void ) { return have_tau_thermostat;} |
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short int haveTauBarostat( void ) { return have_tau_barostat;} |
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short int haveZConsTime(void) { return have_zcons_time;} |
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short int haveIndexOfAllZConsMols() { return have_index_of_all_zcons_mols;} |
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/* other accessors */ |
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Component** getComponents( void ) { return components; } |
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int usePBC; |
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int useRF; |
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double q_mass; |
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double tau_relax; |
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double tau_thermostat; |
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double tau_barostat; |
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double zcons_time; |
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vector<int> zconsMolIndex; |
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//required arguments |
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short int have_force_field, have_n_components, have_target_temp; |
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short int have_density, have_box, have_box_x, have_box_y, have_box_z; |
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short int have_sample_time, have_status_time, have_ecr, have_dielectric; |
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short int have_tempSet, have_thermal_time, have_est, have_q_mass; |
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short int have_tau_relax; |
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short int have_tau_thermostat, have_tau_barostat; |
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short int have_zcons_time, have_index_of_all_zcons_mols; |
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}; |
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