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root/OpenMD/branches/development/src/integrators/Integrator.cpp
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Comparing branches/development/src/integrators/Integrator.cpp (file contents):
Revision 1755 by gezelter, Thu Jun 14 01:58:35 2012 UTC vs.
Revision 1758 by gezelter, Wed Jun 20 13:55:52 2012 UTC

# Line 107 | Line 107 | namespace OpenMD {
107      forceMan_ = new ForceManager(info);
108      
109      // check for the temperature set flag (velocity scaling)      
110 +    needVelocityScaling = false;
111      if (simParams->haveTempSet()) {
112        needVelocityScaling = simParams->getTempSet();
113 +    }
114  
115 +    if (needVelocityScaling) {
116        if (simParams->haveTargetTemp()) {
117          targetScalingTemp = simParams->getTargetTemp();
118        }
119        else {
120          sprintf(painCave.errMsg,
121 <                "Integrator Error: Target Temperature is not set\n");
121 >                "Integrator Error: Target Temperature must be set to turn on tempSet\n");
122          painCave.isFatal = 1;
123          simError();
124  

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