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root/OpenMD/branches/development/src/io/Globals.hpp
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Comparing trunk/src/io/Globals.hpp (file contents):
Revision 906 by tim, Fri Mar 17 23:20:35 2006 UTC vs.
Revision 1078 by gezelter, Wed Oct 18 21:58:48 2006 UTC

# Line 61 | Line 61 | class Globals : public DataHolder {
61      virtual ~Globals();
62      
63    DeclareParameter(ForceField, std::string);
64 <  DeclareParameter(TargetTemp, double);
64 >  DeclareParameter(TargetTemp, RealType);
65    DeclareParameter(Ensemble, std::string);
66 <  DeclareParameter(Dt, double);
67 <  DeclareParameter(RunTime, double);
68 <  DeclareParameter(InitialConfig, std::string);
66 >  DeclareParameter(Dt, RealType);
67 >  DeclareParameter(RunTime, RealType);
68    DeclareParameter(FinalConfig, std::string);
69 <  DeclareParameter(SampleTime, double);
70 <  DeclareParameter(ResetTime, double);
71 <  DeclareParameter(StatusTime, double);
72 <  DeclareParameter(CutoffRadius, double);
73 <  DeclareParameter(SwitchingRadius, double);
75 <  DeclareParameter(Dielectric, double);
69 >  DeclareParameter(SampleTime, RealType);
70 >  DeclareParameter(ResetTime, RealType);
71 >  DeclareParameter(StatusTime, RealType);
72 >  DeclareParameter(CutoffRadius, RealType);
73 >  DeclareParameter(SwitchingRadius, RealType);
74    DeclareParameter(TempSet, bool);
75 <  DeclareParameter(ThermalTime, double);
75 >  DeclareParameter(ThermalTime, RealType);
76    DeclareParameter(UsePeriodicBoundaryConditions, bool);
77 <  DeclareParameter(TargetPressure, double);
78 <  DeclareParameter(TauThermostat, double);
79 <  DeclareParameter(TauBarostat, double);
80 <  DeclareParameter(ZconsTime, double);
81 <  DeclareParameter(ZconsTol, double);
77 >  DeclareParameter(TargetPressure, RealType);
78 >  DeclareParameter(TauThermostat, RealType);
79 >  DeclareParameter(TauBarostat, RealType);
80 >  DeclareParameter(ZconsTime, RealType);
81 >  DeclareParameter(ZconsTol, RealType);
82    DeclareParameter(ZconsForcePolicy, std::string);
83    DeclareParameter(Seed, int);
84    DeclareParameter(UseInitalTime, bool);
85    DeclareParameter(UseIntialExtendedSystemState, bool);
86 <  DeclareParameter(OrthoBoxTolerance, double);
86 >  DeclareParameter(OrthoBoxTolerance, RealType);
87    DeclareParameter(Minimizer, std::string);
88 <  DeclareParameter(MinimizerMaxIter, double);
88 >  DeclareParameter(MinimizerMaxIter, RealType);
89    DeclareParameter(MinimizerWriteFrq, int);
90 <  DeclareParameter(MinimizerStepSize, double);
91 <  DeclareParameter(MinimizerFTol, double);
92 <  DeclareParameter(MinimizerGTol, double);
93 <  DeclareParameter(MinimizerLSTol, double);
90 >  DeclareParameter(MinimizerStepSize, RealType);
91 >  DeclareParameter(MinimizerFTol, RealType);
92 >  DeclareParameter(MinimizerGTol, RealType);
93 >  DeclareParameter(MinimizerLSTol, RealType);
94    DeclareParameter(MinimizerLSMaxIter, int);
95 <  DeclareParameter(ZconsGap, double);
96 <  DeclareParameter(ZconsFixtime, double);
95 >  DeclareParameter(ZconsGap, RealType);
96 >  DeclareParameter(ZconsFixtime, RealType);
97    DeclareParameter(ZconsUsingSMD, bool);
98    DeclareParameter(UseSolidThermInt, bool);
99    DeclareParameter(UseLiquidThermInt, bool);
100 <  DeclareParameter(ThermodynamicIntegrationLambda, double);
101 <  DeclareParameter(ThermodynamicIntegrationK, double);
100 >  DeclareParameter(ThermodynamicIntegrationLambda, RealType);
101 >  DeclareParameter(ThermodynamicIntegrationK, RealType);
102    DeclareParameter(ForceFieldVariant, std::string);
103    DeclareParameter(ForceFieldFileName, std::string);
104 <  DeclareParameter(ThermIntDistSpringConst, double);
105 <  DeclareParameter(ThermIntThetaSpringConst, double);
106 <  DeclareParameter(ThermIntOmegaSpringConst, double);
107 <  DeclareParameter(SurfaceTension, double);
104 >  DeclareParameter(ThermIntDistSpringConst, RealType);
105 >  DeclareParameter(ThermIntThetaSpringConst, RealType);
106 >  DeclareParameter(ThermIntOmegaSpringConst, RealType);
107 >  DeclareParameter(SurfaceTension, RealType);
108    DeclareParameter(PrintPressureTensor, bool);
109    DeclareParameter(ElectrostaticSummationMethod, std::string);
110    DeclareParameter(ElectrostaticScreeningMethod, std::string);
111 <  DeclareParameter(DampingAlpha, double);
111 >  DeclareParameter(DampingAlpha, RealType);
112 >  DeclareParameter(Dielectric, RealType);
113    DeclareParameter(CutoffPolicy, std::string);
114    DeclareParameter(SwitchingFunctionType, std::string);
115    DeclareParameter(CompressDumpFile, bool);
116    DeclareParameter(OutputForceVector, bool);
117 <  DeclareParameter(SkinThickness, double);
117 >  DeclareParameter(SkinThickness, RealType);
118    DeclareParameter(StatFileFormat, std::string);    
119    DeclareParameter(HydroPropFile, std::string);
120 <  DeclareParameter(Viscosity, double);
121 <  DeclareParameter(BeadSize, double);  
120 >  DeclareParameter(Viscosity, RealType);
121 >  DeclareParameter(BeadSize, RealType);  
122 >  DeclareParameter(UseSphericalBoundaryConditions, bool);
123 >  DeclareParameter(FrozenBufferRadius, RealType);
124 >  DeclareParameter(LangevinBufferRadius, RealType);
125 >  DeclareParameter(AccumulateBoxDipole, bool);
126    
127    public:
128      bool addComponent(Component* comp);
# Line 135 | Line 138 | class Globals : public DataHolder {
138  
139      virtual void validate();
140    private:
138 –
139 –    void parseHydroPropFile(const std::string& filename);
141      
142      std::vector<Component*> components_;
143      std::vector<ZConsStamp*> zconstraints_;    

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