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root/OpenMD/trunk/src/integrators/LangevinDynamics.cpp
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Comparing trunk/src/integrators/LangevinDynamics.cpp (file contents):
Revision 895 by tim, Mon Mar 13 22:42:40 2006 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 53 | Line 53 | namespace oopse {
53   #include "integrators/LDForceManager.hpp"
54   namespace oopse {
55  
56 <
56 >  
57    LangevinDynamics::LangevinDynamics(SimInfo* info) : VelocityVerletIntegrator(info){
58      setForceManager(new LDForceManager(info));
59    }
60 <
60 >  
61    void LangevinDynamics::moveA(){
62      SimInfo::MoleculeIterator i;
63      Molecule::IntegrableObjectIterator  j;
# Line 68 | Line 68 | namespace oopse {
68      Vector3d frc;
69      Vector3d Tb;
70      Vector3d ji;
71 <    double mass;
71 >    RealType mass;
72      
73      for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) {
74        for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL;
# Line 122 | Line 122 | namespace oopse {
122      Vector3d frc;
123      Vector3d Tb;
124      Vector3d ji;
125 <    double mass;
125 >    RealType mass;
126      
127      for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) {
128        for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL;
# Line 162 | Line 162 | namespace oopse {
162    }
163  
164  
165 <  double LangevinDynamics::calcConservedQuantity() {
165 >  RealType LangevinDynamics::calcConservedQuantity() {
166      return 0.0;
167    }
168  

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