ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/Integrator.cpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 677 by tim, Mon Aug 11 19:41:36 2003 UTC vs.
Revision 711 by mmeineke, Fri Aug 22 20:04:39 2003 UTC

# Line 184 | Line 184 | template<typename T> void Integrator<T>::integrate( vo
184    // initialize the forces before the first step
185  
186    calcForce(1, 1);
187 <  
187 >  // myFF->doForces(1,1);
188 >        
189    if( info->setTemp ){
190      
191      thermalize();
# Line 192 | Line 193 | template<typename T> void Integrator<T>::integrate( vo
193    
194    calcPot     = 0;
195    calcStress  = 0;
196 <  currSample  = sampleTime;
197 <  currThermal = thermalTime;
198 <  currStatus  = statusTime;
196 >  currSample  = sampleTime + info->getTime();
197 >  currThermal = thermalTime+ info->getTime();
198 >  currStatus  = statusTime + info->getTime();
199  
200    dumpOut->writeDump( info->getTime() );
201    statOut->writeStat( info->getTime() );

Diff Legend

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