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root/OpenMD/branches/development/src/integrators/Integrator.cpp
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Comparing trunk/src/integrators/Integrator.cpp (file contents):
Revision 1329 by gezelter, Sat Mar 14 01:23:53 2009 UTC vs.
Revision 1330 by skuang, Thu Mar 19 21:03:36 2009 UTC

# Line 96 | Line 96 | namespace oopse {
96          needReset = true;
97          resetTime = simParams->getResetTime();
98        }
99 +
100 +
101 +     if (simParams->haveUseRNEMD()) {
102 +        if (simParams->getUseRNEMD()) {
103 +           useRNEMD = simParams->getUseRNEMD();
104 +           if (simParams->haveRNEMD_swapTime()) {
105 +              RNEMD_swapTime = simParams->getRNEMD_swapTime();
106 +           }
107 +         }
108 +      }
109        
110        // Create a default ForceManager: If the subclass wants to use
111        // a different ForceManager, use setForceManager
# Line 120 | Line 130 | namespace oopse {
130        // Create a default a velocitizer: If the subclass wants to use
131        // a different velocitizer, use setVelocitizer
132        velocitizer_ = new Velocitizer(info);
133 <      // Create a default a velocitizer: If the subclass wants to use
134 <      // a different velocitizer, use setVelocitizer
125 <      velocitizer_ = new Velocitizer(info);
133 >      // Create a default a RNEMD.
134 >      rnemd_ = new RNEMD(info);
135      
136      }
137  
138    Integrator::~Integrator(){
139      delete forceMan_;
140      delete velocitizer_;
141 +    delete rnemd_;
142      
143      delete dumpWriter;
144      delete statWriter;

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