--- trunk/src/io/OptionSectionParser.cpp 2005/11/16 23:10:02 749 +++ trunk/src/io/OptionSectionParser.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. @@ -38,13 +29,18 @@ * University of Notre Dame has been advised of the possibility of * such damages. * + * 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). * - * OptionSectionParser.cpp - * OOPSE-2.0 - * * Created by Charles F. Vardeman II on 11/15/05. * @author Charles F. Vardeman II - * @version $Id: OptionSectionParser.cpp,v 1.2 2005-11-16 23:10:02 tim Exp $ + * @version $Id: OptionSectionParser.cpp,v 1.4 2009-11-25 20:02:00 gezelter Exp $ * */ @@ -53,31 +49,8 @@ #include "UseTheForce/ForceField.hpp" #include "utils/simError.h" #include "utils/StringUtils.hpp" -namespace oopse { +namespace OpenMD { - bool ForceFieldOptions::setData(const std::string& keyword, const std::string& value) { - bool result; - ParamMap::iterator i =parameters_.find(keyword); - if (i != parameters_.end()) { - if(isType(value)){ - int ival = lexi_cast(value); - result = i->second->setData(ival); - } - else if (isType(value)){ - double dval = lexi_cast(value); - result = i->second->setData(dval); - } else{ - result = i->second->setData(value); - } - } else { - sprintf(painCave.errMsg, "%s is an unrecognized keyword\n", keyword.c_str() ); - painCave.isFatal = 0; - simError(); - } - - return result; - } - OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) { setSectionName("Options"); } @@ -105,4 +78,4 @@ namespace oopse { options_.validateOptions(); } -} //end namespace oopse +} //end namespace OpenMD