--- trunk/OOPSE/libmdtools/NPTf.cpp 2003/09/22 21:23:25 780 +++ trunk/OOPSE/libmdtools/NPTf.cpp 2003/09/23 20:34:31 782 @@ -234,7 +234,7 @@ template double NPTf::getConservedQuant template double NPTf::getConservedQuantity(void){ double conservedQuantity; - double Energy; + double totalEnergy; double thermostat_kinetic; double thermostat_potential; double barostat_kinetic; @@ -242,7 +242,7 @@ template double NPTf::getConservedQuant double trEta; double a[3][3], b[3][3]; - Energy = tStats->getTotalE(); + totalEnergy = tStats->getTotalE(); thermostat_kinetic = fkBT* tt2 * chi * chi / (2.0 * eConvert); @@ -259,7 +259,7 @@ template double NPTf::getConservedQuant barostat_potential = (targetPressure * tStats->getVolume() / p_convert) / eConvert; - conservedQuantity = Energy + thermostat_kinetic + thermostat_potential + + conservedQuantity = totalEnergy + thermostat_kinetic + thermostat_potential + barostat_kinetic + barostat_potential; // cout.width(8);