--- trunk/src/applications/staticProps/ObjectCount.cpp 2010/10/19 20:16:44 1514 +++ trunk/src/applications/staticProps/ObjectCount.cpp 2013/06/16 15:15:42 1879 @@ -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). */ #include @@ -92,7 +93,7 @@ void ObjectCount::process() { seleMan_.setSelectionSet(evaluator_.evaluate()); } - int count = seleMan_.getSelectionCount(); + unsigned int count = seleMan_.getSelectionCount(); if (counts_.size() <= count) { counts_.resize(count, 0); @@ -121,7 +122,7 @@ void ObjectCount::process() { ofs << "# = " << n2Avg << "\n"; ofs << "# sqrt( - ^2) = " << sDev << "\n"; ofs << "# N\tcounts[N]\n"; - for (int i = 0; i < counts_.size(); ++i) { + for (unsigned int i = 0; i < counts_.size(); ++i) { ofs << i << "\t" << counts_[i] << "\n"; }