--- trunk/OOPSE-2.0/src/types/ShapeAtomType.cpp 2004/10/29 22:28:45 1689 +++ trunk/OOPSE-2.0/src/types/ShapeAtomType.cpp 2005/01/12 22:41:40 1930 @@ -1,9 +1,50 @@ + /* + * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. + * + * The University of Notre Dame grants you ("Licensee") a + * non-exclusive, royalty free, license to use, modify and + * 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 + * notice, this list of conditions and the following disclaimer. + * + * 3. 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. + * + * This software is provided "AS IS," without a warranty of any + * kind. All express or implied conditions, representations and + * warranties, including any implied warranty of merchantability, + * fitness for a particular purpose or non-infringement, are hereby + * excluded. The University of Notre Dame and its licensors shall not + * be liable for any damages suffered by licensee as a result of + * using, modifying or distributing the software or its + * derivatives. In no event will the University of Notre Dame or its + * licensors be liable for any lost revenue, profit or data, or for + * direct, indirect, special, consequential, incidental or punitive + * damages, however caused and regardless of the theory of liability, + * 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. + */ + #include "types/ShapeAtomType.hpp" using namespace oopse; ShapeAtomType::~ShapeAtomType() { - vector::iterator iter; + std::vector::iterator iter; for (iter = contactFuncs.begin(); iter != contactFuncs.end(); ++iter) delete (*iter); for (iter = rangeFuncs.begin(); iter != rangeFuncs.end(); ++iter) @@ -17,7 +58,7 @@ double ShapeAtomType::getContactValueAt(double costhet double ShapeAtomType::getContactValueAt(double costheta, double phi) { - vector::iterator contactIter; + std::vector::iterator contactIter; double contactVal; contactVal = 0.0; @@ -31,7 +72,7 @@ double ShapeAtomType::getRangeValueAt(double costheta, double ShapeAtomType::getRangeValueAt(double costheta, double phi) { - vector::iterator rangeIter; + std::vector::iterator rangeIter; double rangeVal; rangeVal = 0.0; @@ -45,7 +86,7 @@ double ShapeAtomType::getStrengthValueAt(double costhe double ShapeAtomType::getStrengthValueAt(double costheta, double phi) { - vector::iterator strengthIter; + std::vector::iterator strengthIter; double strengthVal; strengthVal = 0.0;