--- trunk/src/applications/staticProps/BOPofR.cpp 2012/08/30 17:18:22 1790 +++ trunk/src/applications/staticProps/BOPofR.cpp 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). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * Created by J. Daniel Gezelter on 09/26/06. @@ -176,12 +176,11 @@ namespace OpenMD { std::vector q2; std::vector w; std::vector w_hat; - std::map,ComplexType> QBar; std::vector Q2; std::vector Q; std::vector W; std::vector W_hat; - int nBonds, Nbonds; + int nBonds; SphericalHarmonic sphericalHarmonic; int i; @@ -200,7 +199,6 @@ namespace OpenMD { Q.resize(lMax_+1); W.resize(lMax_+1); W_hat.resize(lMax_+1); - Nbonds = 0; for (int istep = 0; istep < nFrames; istep += step_) { reader.readFrame(istep);