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root/OpenMD/branches/development/src/flucq/FluctuatingChargeParameters.cpp
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Comparing branches/development/src/flucq/FluctuatingChargeParameters.cpp (file contents):
Revision 1731 by gezelter, Thu May 31 12:25:30 2012 UTC vs.
Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 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 54 | Line 54 | namespace OpenMD {
54      DefineOptionalParameterWithDefaultValue(MaxIterations, "maxIterations", 100);    
55      DefineOptionalParameterWithDefaultValue(TargetTemp, "targetTemp", 1.0e-6);
56      DefineOptionalParameterWithDefaultValue(TauThermostat, "tauThermostat", 10.0);
57 +    DefineOptionalParameterWithDefaultValue(DragCoefficient, "dragCoefficient", 0.01);
58    }
59    
60    FluctuatingChargeParameters::~FluctuatingChargeParameters() {    
# Line 66 | Line 67 | namespace OpenMD {
67      CheckParameter(MaxIterations, isPositive());    
68      CheckParameter(TargetTemp,  isNonNegative());
69      CheckParameter(TauThermostat, isPositive());
70 +    CheckParameter(DragCoefficient, isPositive());
71    }
72    
73   }

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