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root/group/trunk/OOPSE-4/src/integrators/VelocityVerletIntegrator.cpp
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Comparing trunk/OOPSE-4/src/integrators/VelocityVerletIntegrator.cpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2243 by tim, Sun May 29 00:06:14 2005 UTC

# Line 105 | Line 105 | namespace oopse {
105      
106      currSample = sampleTime + currentSnapshot_->getTime();
107      currStatus =  statusTime + currentSnapshot_->getTime();;
108 <    currThermal = thermalTime +  + currentSnapshot_->getTime();
108 >    currThermal = thermalTime + currentSnapshot_->getTime();
109 >    if (needReset) {
110 >      currReset = resetTime + currentSnapshot_->getTime();
111 >    }
112      needPotential = false;
113      needStress = false;      
114      
# Line 175 | Line 178 | namespace oopse {
178        needStress = false;
179        currStatus += statusTime;
180      }
181 +
182 +      if (needReset && currentSnapshot_->getTime() >= currReset) {    
183 +        resetIntegrator();
184 +        currReset += resetTime;
185 +      }
186    
179  
187    }
188  
189  
# Line 230 | Line 237 | namespace oopse {
237        mask.set(Stats::VHARM);
238        return new StatWriter(info_->getStatFileName(), mask);
239      }
240 <  
240 >
241 >    if (simParams->havePrintPressureTensor() && simParams->getPrintPressureTensor()){
242 >       StatsBitSet mask;
243 >        mask.set(Stats::TIME);
244 >        mask.set(Stats::TOTAL_ENERGY);
245 >        mask.set(Stats::POTENTIAL_ENERGY);
246 >        mask.set(Stats::KINETIC_ENERGY);
247 >        mask.set(Stats::TEMPERATURE);
248 >        mask.set(Stats::PRESSURE);
249 >        mask.set(Stats::VOLUME);
250 >        mask.set(Stats::CONSERVED_QUANTITY);
251 >        mask.set(Stats::PRESSURE_TENSOR_X);
252 >        mask.set(Stats::PRESSURE_TENSOR_Y);
253 >        mask.set(Stats::PRESSURE_TENSOR_Z);
254 >        return new StatWriter(info_->getStatFileName(), mask);
255 >    }
256 >    
257      return new StatWriter(info_->getStatFileName());
258    }
259  

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