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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 770 by tim, Fri Dec 2 15:38:03 2005 UTC vs.
Revision 1050 by chrisfen, Fri Sep 22 22:19:59 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(InitialConfig, std::string);
69    DeclareParameter(FinalConfig, std::string);
70 <  DeclareParameter(SampleTime, double);
71 <  DeclareParameter(ResetTime, double);
72 <  DeclareParameter(StatusTime, double);
73 <  DeclareParameter(CutoffRadius, double);
74 <  DeclareParameter(SwitchingRadius, double);
75 <  DeclareParameter(Dielectric, double);
70 >  DeclareParameter(SampleTime, RealType);
71 >  DeclareParameter(ResetTime, RealType);
72 >  DeclareParameter(StatusTime, RealType);
73 >  DeclareParameter(CutoffRadius, RealType);
74 >  DeclareParameter(SwitchingRadius, RealType);
75    DeclareParameter(TempSet, bool);
76 <  DeclareParameter(ThermalTime, double);
78 <  DeclareParameter(MixingRule, std::string);
76 >  DeclareParameter(ThermalTime, RealType);
77    DeclareParameter(UsePeriodicBoundaryConditions, bool);
78 <  DeclareParameter(TargetPressure, double);
79 <  DeclareParameter(TauThermostat, double);
80 <  DeclareParameter(TauBarostat, double);
81 <  DeclareParameter(ZconsTime, double);
82 <  DeclareParameter(ZconsTol, double);
78 >  DeclareParameter(TargetPressure, RealType);
79 >  DeclareParameter(TauThermostat, RealType);
80 >  DeclareParameter(TauBarostat, RealType);
81 >  DeclareParameter(ZconsTime, RealType);
82 >  DeclareParameter(ZconsTol, RealType);
83    DeclareParameter(ZconsForcePolicy, std::string);
84    DeclareParameter(Seed, int);
85    DeclareParameter(UseInitalTime, bool);
86    DeclareParameter(UseIntialExtendedSystemState, bool);
87 <  DeclareParameter(OrthoBoxTolerance, double);
87 >  DeclareParameter(OrthoBoxTolerance, RealType);
88    DeclareParameter(Minimizer, std::string);
89 <  DeclareParameter(MinimizerMaxIter, double);
89 >  DeclareParameter(MinimizerMaxIter, RealType);
90    DeclareParameter(MinimizerWriteFrq, int);
91 <  DeclareParameter(MinimizerStepSize, double);
92 <  DeclareParameter(MinimizerFTol, double);
93 <  DeclareParameter(MinimizerGTol, double);
94 <  DeclareParameter(MinimizerLSTol, double);
91 >  DeclareParameter(MinimizerStepSize, RealType);
92 >  DeclareParameter(MinimizerFTol, RealType);
93 >  DeclareParameter(MinimizerGTol, RealType);
94 >  DeclareParameter(MinimizerLSTol, RealType);
95    DeclareParameter(MinimizerLSMaxIter, int);
96 <  DeclareParameter(ZconsGap, double);
97 <  DeclareParameter(ZconsFixtime, double);
96 >  DeclareParameter(ZconsGap, RealType);
97 >  DeclareParameter(ZconsFixtime, RealType);
98    DeclareParameter(ZconsUsingSMD, bool);
99    DeclareParameter(UseSolidThermInt, bool);
100    DeclareParameter(UseLiquidThermInt, bool);
101 <  DeclareParameter(ThermodynamicIntegrationLambda, double);
102 <  DeclareParameter(ThermodynamicIntegrationK, double);
101 >  DeclareParameter(ThermodynamicIntegrationLambda, RealType);
102 >  DeclareParameter(ThermodynamicIntegrationK, RealType);
103    DeclareParameter(ForceFieldVariant, std::string);
104    DeclareParameter(ForceFieldFileName, std::string);
105 <  DeclareParameter(ThermIntDistSpringConst, double);
106 <  DeclareParameter(ThermIntThetaSpringConst, double);
107 <  DeclareParameter(ThermIntOmegaSpringConst, double);
108 <  DeclareParameter(SurfaceTension, double);
105 >  DeclareParameter(ThermIntDistSpringConst, RealType);
106 >  DeclareParameter(ThermIntThetaSpringConst, RealType);
107 >  DeclareParameter(ThermIntOmegaSpringConst, RealType);
108 >  DeclareParameter(SurfaceTension, RealType);
109    DeclareParameter(PrintPressureTensor, bool);
110    DeclareParameter(ElectrostaticSummationMethod, std::string);
111    DeclareParameter(ElectrostaticScreeningMethod, std::string);
112 <  DeclareParameter(DampingAlpha, double);
112 >  DeclareParameter(DampingAlpha, RealType);
113 >  DeclareParameter(Dielectric, RealType);
114    DeclareParameter(CutoffPolicy, std::string);
115    DeclareParameter(SwitchingFunctionType, std::string);
116    DeclareParameter(CompressDumpFile, bool);
117    DeclareParameter(OutputForceVector, bool);
118 <  DeclareParameter(SkinThickness, double);
118 >  DeclareParameter(SkinThickness, RealType);
119    DeclareParameter(StatFileFormat, std::string);    
120 <
120 >  DeclareParameter(HydroPropFile, std::string);
121 >  DeclareParameter(Viscosity, RealType);
122 >  DeclareParameter(BeadSize, RealType);  
123 >  DeclareParameter(UseSphericalBoundaryConditions, bool);
124 >  DeclareParameter(FrozenBufferRadius, RealType);
125 >  DeclareParameter(LangevinBufferRadius, RealType);
126 >  DeclareParameter(AccumulateBoxDipole, bool);
127 >  
128    public:
129      bool addComponent(Component* comp);
130      bool addZConsStamp(ZConsStamp* zcons);
# Line 133 | Line 139 | class Globals : public DataHolder {
139  
140      virtual void validate();
141    private:
142 +    
143      std::vector<Component*> components_;
144      std::vector<ZConsStamp*> zconstraints_;    
145      std::map<std::string, MoleculeStamp*> moleculeStamps_;

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