ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/integrators/Integrator.cpp
(Generate patch)

Comparing trunk/src/integrators/Integrator.cpp (file contents):
Revision 993 by chrisfen, Thu Jun 22 15:21:01 2006 UTC vs.
Revision 1343 by gezelter, Mon May 11 13:14:12 2009 UTC

# Line 46 | Line 46 | namespace oopse {
46    Integrator::Integrator(SimInfo* info)
47      : info_(info), forceMan_(NULL) , needPotential(false), needStress(false),
48        needReset(false), velocitizer_(NULL), needVelocityScaling(false),
49 +      rnemd_(NULL), useRNEMD(false),
50        dumpWriter(NULL), statWriter(NULL), thermo(info),
51        currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) {
52  
# Line 115 | Line 116 | namespace oopse {
116  
117          }
118        }
119 <    
119 >      
120        // Create a default a velocitizer: If the subclass wants to use
121        // a different velocitizer, use setVelocitizer
122        velocitizer_ = new Velocitizer(info);
122    
123    }
123  
124 +      if (simParams->haveUseRNEMD()) {
125 +        if (simParams->getUseRNEMD()) {
126 +          // Create a default a RNEMD.
127 +          rnemd_ = new RNEMD(info);
128 +          useRNEMD = simParams->getUseRNEMD();
129 +          if (simParams->haveRNEMD_swapTime()) {
130 +            RNEMD_swapTime = simParams->getRNEMD_swapTime();
131 +          }
132 +        }
133 +      }
134 +  }
135 +  
136    Integrator::~Integrator(){
137      delete forceMan_;
138      delete velocitizer_;
139 +    delete rnemd_;
140      
141      delete dumpWriter;
142      delete statWriter;

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines