--- trunk/src/integrators/NPrT.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/integrators/NPrT.cpp 2015/03/05 16:30:23 2069 @@ -170,11 +170,11 @@ namespace OpenMD { RealType barostat_potential = (targetPressure * thermo.getVolume() / PhysicalConstants::pressureConvert) /PhysicalConstants::energyConvert; Mat3x3d hmat = snap->getHmat(); - RealType hz = hmat(2, 2); RealType area = hmat(0,0) * hmat(1, 1); - RealType conservedQuantity = totalEnergy + thermostat_kinetic + thermostat_potential + - barostat_kinetic + barostat_potential - surfaceTension * area/ PhysicalConstants::energyConvert; + RealType conservedQuantity = totalEnergy + thermostat_kinetic + + thermostat_potential + barostat_kinetic + barostat_potential + - surfaceTension * area/ PhysicalConstants::energyConvert; return conservedQuantity;