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root/OpenMD/branches/development/src/brains/Stats.cpp
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Comparing branches/development/src/brains/Stats.cpp (file contents):
Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

# Line 44 | Line 44
44   * @file Stats.cpp
45   * @author tlin
46   * @date 11/04/2004
47 – * @time 14:26am
47   * @version 1.0
48   */
49  
# Line 280 | Line 279 | namespace OpenMD {
279      tagged_pair_distance.accumulator = new Accumulator();
280      data_[TAGGED_PAIR_DISTANCE] = tagged_pair_distance;
281      statsMap_["TAGGED_PAIR_DISTANCE"] =  TAGGED_PAIR_DISTANCE;
283 –
284 –    StatsData rnemd_exchange_total;
285 –    rnemd_exchange_total.units =  "Variable";
286 –    rnemd_exchange_total.title =  "RNEMD_exchange_total";
287 –    rnemd_exchange_total.dataType = "RealType";
288 –    rnemd_exchange_total.accumulator = new Accumulator();
289 –    data_[RNEMD_EXCHANGE_TOTAL] = rnemd_exchange_total;
290 –    statsMap_["RNEMD_EXCHANGE_TOTAL"] =  RNEMD_EXCHANGE_TOTAL;
282  
283      StatsData shadowh;
284      shadowh.units =  "kcal/mol";
# Line 365 | Line 356 | namespace OpenMD {
356        }
357      }
358      
368 –    if (simParams->getRNEMDParameters()->getUseRNEMD()) {
369 –      statsMask_.set(RNEMD_EXCHANGE_TOTAL);
370 –    }
371 –
372 –
373 –
359    }
360  
361    void Stats::parseStatFileFormat(const std::string& format) {
# Line 502 | Line 487 | namespace OpenMD {
487            data_[i].accumulator->add(thermo.getTaggedAtomPairDistance());
488            break;
489            /*
505 –        case RNEMD_EXCHANGE_TOTAL:
506 –          data_[i].accumulator->add(thermo.get_RNEMD_exchange_total());
507 –          break;
490          case SHADOWH:
491            data_[i].accumulator->add(thermo.getShadowHamiltionian());
492            break;

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