ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/constraints/Rattle.cpp
(Generate patch)

Comparing trunk/src/constraints/Rattle.cpp (file contents):
Revision 1981 by gezelter, Mon Apr 14 18:32:51 2014 UTC vs.
Revision 1982 by gezelter, Tue Apr 15 12:12:23 2014 UTC

# Line 47 | Line 47 | namespace OpenMD {
47  
48    Rattle::Rattle(SimInfo* info) : info_(info), maxConsIteration_(10), consTolerance_(1.0e-6), doRattle_(false) {
49      
50 <    if (info_->getNConstraints() > 0)
50 >    if (info_->getNGlobalConstraints() > 0)
51        doRattle_ = true;
52      
53      Globals* simParams = info_->getSimParams();
# Line 56 | Line 56 | namespace OpenMD {
56        dt_ = simParams->getDt();
57      } else {
58        sprintf(painCave.errMsg,
59 <              "Integrator Error: dt is not set\n");
59 >              "Rattle Error: dt is not set\n");
60        painCave.isFatal = 1;
61        simError();
62      }    
63 +
64      currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
65      if (simParams->haveConstraintTime()){
66        constraintTime_ = simParams->getConstraintTime();

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines