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root/OpenMD/trunk/src/constraints/Shake.cpp
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Comparing trunk/src/constraints/Shake.cpp (file contents):
Revision 1982 by gezelter, Tue Apr 15 12:12:23 2014 UTC vs.
Revision 1983 by gezelter, Tue Apr 15 20:36:19 2014 UTC

# Line 45 | Line 45 | namespace OpenMD {
45   #include "utils/simError.h"
46   namespace OpenMD {
47  
48 <  Shake::Shake(SimInfo* info) : info_(info), maxConsIteration_(10), consTolerance_(1.0e-6), doShake_(false) {
48 >  Shake::Shake(SimInfo* info) : info_(info), maxConsIteration_(10),
49 >                                consTolerance_(1.0e-6), doShake_(false),
50 >                                currConstraintTime_(0.0)  {
51      
52      if (info_->getNGlobalConstraints() > 0)
53        doShake_ = true;
# Line 59 | Line 61 | namespace OpenMD {
61        constraintTime_ = simParams->getStatusTime();
62      }
63  
64 <    constraintOutputFile_ = getPrefix(info_->getFinalConfigFileName()) + ".constraintForces";
64 >    constraintOutputFile_ = getPrefix(info_->getFinalConfigFileName()) +
65 >      ".constraintForces";
66  
67      // create ConstraintWriter  
68 <    constraintWriter_ = new ConstraintWriter(info_, constraintOutputFile_.c_str());  
68 >    constraintWriter_ = new ConstraintWriter(info_,
69 >                                             constraintOutputFile_.c_str());  
70  
71      if (!constraintWriter_){
72        sprintf(painCave.errMsg, "Failed to create ConstraintWriter\n");

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