--- trunk/src/applications/staticProps/P2OrderParameter.hpp 2012/12/12 19:05:43 1817 +++ trunk/src/applications/staticProps/P2OrderParameter.hpp 2013/06/16 15:15:42 1879 @@ -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). */ @@ -54,6 +54,8 @@ namespace OpenMD { const string& sele1); P2OrderParameter(SimInfo* info, const string& filename, const string& sele1, const string& sele2); + P2OrderParameter(SimInfo* info, const string& filename, + const string& sele1, const int seleOffset); virtual void process(); private: @@ -69,12 +71,15 @@ namespace OpenMD { Snapshot* currentSnapshot_; bool doVect_; + bool doOffset_; string selectionScript1_; string selectionScript2_; SelectionManager seleMan1_; SelectionManager seleMan2_; SelectionEvaluator evaluator1_; SelectionEvaluator evaluator2_; + int seleOffset_; + vector orderParams_; };