--- trunk/src/selection/DistanceFinder.hpp 2009/11/25 20:02:06 1390 +++ trunk/src/selection/DistanceFinder.hpp 2012/12/07 18:33:33 1816 @@ -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). */ #ifndef SELECTION_DISTANCEFINDER_HPP #define SELECTION_DISTANCEFINDER_HPP @@ -50,6 +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_;