--- trunk/src/utils/LocalIndexManager.hpp 2010/05/10 17:28:26 1442 +++ branches/development/src/utils/LocalIndexManager.hpp 2013/02/20 15:39:39 1850 @@ -35,8 +35,9 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ /** @@ -293,12 +294,33 @@ namespace OpenMD { void releaseRigidBodyIndex(std::vector indices) { rigidBodyIndexContainer_.insert(indices); + } + + int getNextCutoffGroupIndex() { + return cutoffGroupIndexContainer_.pop(); + } + + std::vector getCutoffGroupIndicesBefore(int index) { + return cutoffGroupIndexContainer_.getIndicesBefore(index); + } + + void releaseCutoffGroupIndex(int index) { + cutoffGroupIndexContainer_.insert(index); } + + void releaseCutoffGroupIndex(int beginIndex, int endIndex) { + cutoffGroupIndexContainer_.insert(beginIndex, endIndex); + } + + void releaseCutoffGroupIndex(std::vector indices) { + cutoffGroupIndexContainer_.insert(indices); + } private: IndexListContainer atomIndexContainer_; IndexListContainer rigidBodyIndexContainer_; + IndexListContainer cutoffGroupIndexContainer_; }; } //end namespace OpenMD