--- branches/development/src/brains/BlockSnapshotManager.cpp 2011/09/14 21:15:17 1629 +++ branches/development/src/brains/BlockSnapshotManager.cpp 2012/07/03 18:32:27 1764 @@ -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 #include "brains/BlockSnapshotManager.hpp" @@ -226,6 +227,7 @@ namespace OpenMD { Snapshot* BlockSnapshotManager::loadFrame(int frame){ Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, nCutoffGroups_, getStorageLayout()); snapshot->setID(frame); + snapshot->clearDerivedProperties(); /** @todo fixed me */ Snapshot* oldSnapshot = currentSnapshot_;