--- branches/development/src/brains/Thermo.cpp 2010/10/02 19:54:41 1503 +++ branches/development/src/brains/Thermo.cpp 2012/05/15 13:04:08 1709 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #include @@ -208,7 +209,7 @@ namespace OpenMD { RealType volume = this->getVolume(); Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); - Mat3x3d tau = curSnapshot->statData.getTau(); + Mat3x3d tau = curSnapshot->getTau(); pressureTensor = (p_global + PhysicalConstants::energyConvert* tau)/volume;