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root/OpenMD/trunk/src/io/Globals.hpp
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Comparing trunk/src/io/Globals.hpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 2034 by gezelter, Mon Nov 3 16:49:03 2014 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 83 | Line 83 | namespace OpenMD {
83      DeclareParameter(UsePeriodicBoundaryConditions, bool);
84      DeclareParameter(TargetPressure, RealType);
85      DeclareParameter(UseAtomicVirial, bool);
86 +    DeclareParameter(UseLongRangeCorrections, bool);
87      DeclareParameter(TauThermostat, RealType);
88      DeclareParameter(TauBarostat, RealType);
89      DeclareParameter(ZconsTime, RealType);
# Line 117 | Line 118 | namespace OpenMD {
118      DeclareParameter(OutputParticlePotential, bool);
119      DeclareParameter(OutputElectricField, bool);
120      DeclareParameter(OutputFluctuatingCharges, bool);
121 +    DeclareParameter(OutputSitePotential, bool);
122      DeclareParameter(SkinThickness, RealType);
123      DeclareParameter(StatFileFormat, std::string);    
124      DeclareParameter(HydroPropFile, std::string);
# Line 126 | Line 128 | namespace OpenMD {
128      DeclareParameter(FrozenBufferRadius, RealType);
129      DeclareParameter(LangevinBufferRadius, RealType);
130      DeclareParameter(AccumulateBoxDipole, bool);
131 +    DeclareParameter(AccumulateBoxQuadrupole, bool);
132      DeclareParameter(NeighborListNeighbors, int);
133      DeclareParameter(UseMultipleTemperatureMethod, bool);
134      DeclareParameter(MTM_Ce, RealType);
# Line 138 | Line 141 | namespace OpenMD {
141      DeclareParameter(HULL_Method, std::string);
142      DeclareParameter(Alpha, RealType);
143      DeclareAlterableParameter(MDfileVersion, int);
144 <    DeclareParameter(ElectricField, OpenMD::Vector3d);
144 >    DeclareParameter(UniformField, std::vector<RealType> );
145 >    DeclareParameter(UniformGradientStrength, RealType );
146 >    DeclareParameter(UniformGradientDirection1, std::vector<RealType> );
147 >    DeclareParameter(UniformGradientDirection2, std::vector<RealType> );
148  
149 +    DeclareParameter(ElectricField, std::vector<RealType> );
150 +    DeclareParameter(ConstraintTime, RealType);
151 +
152    public:
153      bool addComponent(Component* comp);
154      bool addZConsStamp(ZConsStamp* zcons);

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