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root/OpenMD/branches/development/src/integrators/VelocityVerletIntegrator.cpp
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Comparing trunk/src/integrators/VelocityVerletIntegrator.cpp (file contents):
Revision 998 by chrisfen, Mon Jul 3 13:18:43 2006 UTC vs.
Revision 1291 by gezelter, Thu Sep 11 19:40:59 2008 UTC

# Line 191 | Line 191 | namespace oopse {
191      dumpWriter->writeEor();
192    
193      if (simParams->getUseSolidThermInt()) {
194 < //       restWriter->writeZAngFile();
194 >      restWriter->writeZAngFile();
195        delete restWriter;
196        restWriter = NULL;
197      }
# Line 234 | Line 234 | namespace oopse {
234  
235      if (simParams->havePrintPressureTensor() &&
236          simParams->getPrintPressureTensor()){
237 <        mask.set(Stats::PRESSURE_TENSOR_X);
238 <        mask.set(Stats::PRESSURE_TENSOR_Y);
239 <        mask.set(Stats::PRESSURE_TENSOR_Z);
237 >      mask.set(Stats::PRESSURE_TENSOR_XX);
238 >      mask.set(Stats::PRESSURE_TENSOR_XY);
239 >      mask.set(Stats::PRESSURE_TENSOR_XZ);
240 >      mask.set(Stats::PRESSURE_TENSOR_YX);
241 >      mask.set(Stats::PRESSURE_TENSOR_YY);
242 >      mask.set(Stats::PRESSURE_TENSOR_YZ);
243 >      mask.set(Stats::PRESSURE_TENSOR_ZX);
244 >      mask.set(Stats::PRESSURE_TENSOR_ZY);
245 >      mask.set(Stats::PRESSURE_TENSOR_ZZ);
246      }
247      
248      if (simParams->getAccumulateBoxDipole()) {
# Line 244 | Line 250 | namespace oopse {
250        mask.set(Stats::BOX_DIPOLE_Y);
251        mask.set(Stats::BOX_DIPOLE_Z);
252      }
253 +    
254 +    if (simParams->haveTaggedAtomPair() && simParams->havePrintTaggedPairDistance()) {
255 +      if (simParams->getPrintTaggedPairDistance()) {
256 +        mask.set(Stats::TAGGED_PAIR_DISTANCE);
257 +      }
258 +    }
259 +      
260  
261       return new StatWriter(info_->getStatFileName(), mask);
262    }

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