--- branches/development/src/brains/Stats.cpp 2012/07/03 18:32:27 1764 +++ branches/development/src/brains/Stats.cpp 2012/08/09 18:35:09 1777 @@ -281,14 +281,6 @@ namespace OpenMD { data_[TAGGED_PAIR_DISTANCE] = tagged_pair_distance; statsMap_["TAGGED_PAIR_DISTANCE"] = TAGGED_PAIR_DISTANCE; - StatsData rnemd_exchange_total; - rnemd_exchange_total.units = "Variable"; - rnemd_exchange_total.title = "RNEMD_exchange_total"; - rnemd_exchange_total.dataType = "RealType"; - rnemd_exchange_total.accumulator = new Accumulator(); - data_[RNEMD_EXCHANGE_TOTAL] = rnemd_exchange_total; - statsMap_["RNEMD_EXCHANGE_TOTAL"] = RNEMD_EXCHANGE_TOTAL; - StatsData shadowh; shadowh.units = "kcal/mol"; shadowh.title = "Shadow Hamiltonian"; @@ -365,12 +357,6 @@ namespace OpenMD { } } - if (simParams->getRNEMDParameters()->getUseRNEMD()) { - statsMask_.set(RNEMD_EXCHANGE_TOTAL); - } - - - } void Stats::parseStatFileFormat(const std::string& format) { @@ -414,7 +400,7 @@ namespace OpenMD { Snapshot* snap = info_->getSnapshotManager()->getCurrentSnapshot(); Thermo thermo(info_); - for (int i = 0; i < statsMask_.size(); ++i) { + for (unsigned int i = 0; i < statsMask_.size(); ++i) { if (statsMask_[i]) { switch (i) { case TIME: @@ -502,9 +488,6 @@ namespace OpenMD { data_[i].accumulator->add(thermo.getTaggedAtomPairDistance()); break; /* - case RNEMD_EXCHANGE_TOTAL: - data_[i].accumulator->add(thermo.get_RNEMD_exchange_total()); - break; case SHADOWH: data_[i].accumulator->add(thermo.getShadowHamiltionian()); break;