--- trunk/src/lattice/shapedLattice.cpp 2009/11/25 20:02:06 1390 +++ branches/development/src/lattice/shapedLattice.cpp 2013/02/20 15:39:39 1850 @@ -34,15 +34,16 @@ * * [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). + * [4] Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * - * * sphericalLattice.cpp * * Created by Charles F. Vardeman II on 17 Feb 2006. + * Edited by Kelsey M. Stocker on 23 Feb 2012. * @author Charles F. Vardeman II - * @version $Id: shapedLattice.cpp,v 1.8 2009-11-25 20:02:01 gezelter Exp $ + * @version $Id$ * */ @@ -80,6 +81,8 @@ namespace OpenMD{ endNx_ = (int) ceil(0.5*dimension_[0]/latticeConstant_); endNy_ = (int) ceil(0.5*dimension_[1]/latticeConstant_); endNz_ = (int) ceil(0.5*dimension_[2]/latticeConstant_); + std::cerr << "begin = " << beginNx_ << " " << beginNy_ << " " << beginNz_ << "\n"; + std::cerr << "end = " << endNx_ << " " << endNy_ << " " << endNz_ << "\n"; sitesComputed_ = false; }