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root/OpenMD/branches/development/src/brains/ForceManager.hpp
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Comparing branches/development/src/brains/ForceManager.hpp (file contents):
Revision 1711 by gezelter, Sat May 19 02:58:35 2012 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC

# Line 83 | Line 83 | namespace OpenMD {
83    protected:
84      bool initialized_;
85      bool doParticlePot_;
86 +    bool doHeatFlux_;
87  
88      virtual void setupCutoffs();
89      virtual void preCalculation();        
# Line 97 | Line 98 | namespace OpenMD {
98      SwitchingFunction* switcher_;
99  
100      SwitchingFunctionType sft_;/**< Type of switching function in use */
100 –
101 –
101      RealType rCut_;            /**< cutoff radius for non-bonded interactions */
102      RealType rSwitch_;         /**< inner radius of switching function */
103      CutoffMethod cutoffMethod_;/**< Cutoff Method for most non-bonded interactions */
# Line 112 | Line 111 | namespace OpenMD {
111      vector<RealType> vdwScale_;
112      vector<RealType> electrostaticScale_;
113  
114 <    Mat3x3d tau;
116 <
114 >    Mat3x3d stressTensor;
115    };
116   }
117   #endif //BRAINS_FORCEMANAGER_HPP

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