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root/OpenMD/branches/development/src/io/Globals.hpp
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Comparing branches/development/src/io/Globals.hpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC

# Line 107 | Line 107 | namespace OpenMD {
107      DeclareParameter(ForceFieldFileName, std::string);
108      DeclareParameter(SurfaceTension, RealType);
109      DeclareParameter(PrintPressureTensor, bool);
110 +    DeclareParameter(PrintHeatFlux, bool);
111      DeclareParameter(TaggedAtomPair, intPair);
112      DeclareParameter(PrintTaggedPairDistance, bool);
113      DeclareParameter(ElectrostaticSummationMethod, std::string);
# Line 119 | Line 120 | namespace OpenMD {
120      DeclareParameter(CompressDumpFile, bool);
121      DeclareParameter(OutputForceVector, bool);
122      DeclareParameter(OutputParticlePotential, bool);
123 +    DeclareParameter(OutputElectricField, bool);
124 +    DeclareParameter(OutputFluctuatingCharges, bool);
125      DeclareParameter(SkinThickness, RealType);
126      DeclareParameter(StatFileFormat, std::string);    
127      DeclareParameter(HydroPropFile, std::string);
# Line 142 | Line 145 | namespace OpenMD {
145      DeclareParameter(RNEMD_exchangeType, std::string);
146      DeclareParameter(RNEMD_objectSelection, std::string);
147      DeclareParameter(RNEMD_targetFlux, RealType);
148 +    DeclareParameter(RNEMD_targetJzKE, RealType);
149 +    DeclareParameter(RNEMD_targetJzpx, RealType);
150 +    DeclareParameter(RNEMD_targetJzpy, RealType);
151 +    DeclareParameter(RNEMD_targetJzpz, RealType);
152      DeclareParameter(RNEMD_binShift, bool);
153 <    DeclareParameter(RNEMD_outputDimensionalTemperature, bool);
153 >    DeclareParameter(RNEMD_outputTemperature, bool);
154 >    DeclareParameter(RNEMD_outputVx, bool);
155 >    DeclareParameter(RNEMD_outputVy, bool);
156 >    DeclareParameter(RNEMD_outputXyzTemperature, bool);
157 >    DeclareParameter(RNEMD_outputRotTemperature, bool);
158      DeclareParameter(UseRestraints, bool);
159      DeclareParameter(Restraint_file, std::string);
160      DeclareParameter(HULL_Method, std::string);
161      DeclareParameter(Alpha, RealType);
162 +    DeclareParameter(FlucQPropagator, std::string);
163 +    DeclareParameter(FlucQFriction, RealType);    
164 +    DeclareParameter(FlucQTolerance, RealType);    
165 +    DeclareParameter(FlucQMaxIterations, int);    
166 +    DeclareParameter(FlucQTargetTemp, RealType);
167 +    DeclareParameter(FlucQtauThermostat, RealType);
168      DeclareAlterableParameter(MDfileVersion, int);
169 <    
169 >
170    public:
171      bool addComponent(Component* comp);
172      bool addZConsStamp(ZConsStamp* zcons);

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