--- trunk/src/utils/NumericConstant.hpp 2005/01/12 22:41:40 246 +++ branches/development/src/utils/NumericConstant.hpp 2011/11/22 20:38:56 1665 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -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. @@ -37,32 +28,43 @@ * arising out of the use of or inability to use software, even if the * 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] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ - /** - * @file NumericConstant.hpp - * @author teng lin - * @date 11/17/2004 - * @time 23:33am - * @version 1.0 - */ +/** + * @file NumericConstant.hpp + * @author teng lin + * @date 11/17/2004 + * @time 23:33am + * @version 1.0 + */ #ifndef UTILS_NUMERICCONSTANT_HPP #define UTILS_NUMERICCONSTANT_HPP #include -namespace oopse { +#include +namespace OpenMD { -/** - * @class NumericConstant NumericConstant.hpp "utils/NumericConstant.hpp" - * @todo document - */ -namespace NumericConstant { + /** + * @class NumericConstant NumericConstant.hpp "utils/NumericConstant.hpp" + * @todo document + */ + namespace NumericConstant { - static const double epsilon = 0.000001; - static const double PI = M_PI; - static const double TWO_PI = 2.0 * PI; -} + static const RealType epsilon = std::numeric_limits::epsilon(); + static const RealType PI = M_PI; + static const RealType TWO_PI = 2.0 * PI; + } -} //end namespace oopse +} //end namespace OpenMD #endif //UTILS_NUMERICCONSTANT_HPP