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root/OpenMD/trunk/src/restraints/ThermoIntegrationForceManager.cpp
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Comparing trunk/src/restraints/ThermoIntegrationForceManager.cpp (file contents):
Revision 990 by chrisfen, Mon Jun 19 01:36:06 2006 UTC vs.
Revision 993 by chrisfen, Thu Jun 22 15:21:01 2006 UTC

# Line 144 | Line 144 | namespace oopse {
144      tempTau = curSnapshot->statData.getTau();
145      tempTau *= factor_;
146      curSnapshot->statData.setTau(tempTau);
147
148 //     sprintf(painCave.errMsg, "Before Calc_Restraint_Forces\n");
149 //     painCave.isFatal = 0;
150 //     simError();
147    
148      // do crystal restraint forces for thermodynamic integration
149      if (simParam->getUseSolidThermInt()) {
# Line 158 | Line 154 | namespace oopse {
154        vHarm_ = restraint_->getVharm();
155        curSnapshot->statData[Stats::VHARM] = vHarm_;
156      }
161
162 //     sprintf(painCave.errMsg, "After Calc_Restraint_Forces\n");
163 //     painCave.isFatal = 0;
164 //     simError();
157      
158    }
159    

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