--- branches/development/src/selection/DistanceFinder.hpp 2011/11/22 20:38:56 1665 +++ branches/development/src/selection/DistanceFinder.hpp 2013/02/20 15:39:39 1850 @@ -35,7 +35,7 @@ * * [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). + * [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). */ @@ -51,6 +51,7 @@ namespace OpenMD { DistanceFinder(SimInfo* si); OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance); + OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance, int frame); SimInfo* info_; std::vector stuntdoubles_;