--- trunk/src/applications/staticProps/BondOrderParameter.cpp 2006/12/20 21:03:11 1100 +++ trunk/src/applications/staticProps/BondOrderParameter.cpp 2009/11/25 20:02:06 1390 @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 2. Redistributions in binary form must reproduce the above copyright * notice, this list of conditions and the following disclaimer in the * documentation and/or other materials provided with the * distribution. @@ -38,12 +29,18 @@ * University of Notre Dame has been advised of the possibility of * such damages. * - * BondOrderParameter.cpp - * OOPSE-4 + * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your + * research, please cite the appropriate papers when you publish your + * work. Good starting points are: + * + * [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). * * Created by J. Daniel Gezelter on 09/26/06. * @author J. Daniel Gezelter - * @version $Id: BondOrderParameter.cpp,v 1.22 2006-12-20 21:03:11 gezelter Exp $ + * @version $Id: BondOrderParameter.cpp,v 1.23 2009-11-25 20:01:59 gezelter Exp $ * */ @@ -53,7 +50,7 @@ #include "primitives/Molecule.hpp" #include "utils/NumericConstant.hpp" -namespace oopse { +namespace OpenMD { BondOrderParameter::BondOrderParameter(SimInfo* info, const std::string& filename, @@ -347,7 +344,7 @@ namespace oopse { } else { sprintf( painCave.errMsg, "q_l value outside reasonable range\n"); - painCave.severity = OOPSE_ERROR; + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); } @@ -361,7 +358,7 @@ namespace oopse { } else { sprintf( painCave.errMsg, "Re[w_hat] value (%lf) outside reasonable range\n", real(what[l])); - painCave.severity = OOPSE_ERROR; + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); }