| 6 |  | * redistribute this software in source and binary code form, provided | 
| 7 |  | * that the following conditions are met: | 
| 8 |  | * | 
| 9 | < | * 1. Acknowledgement of the program authors must be made in any | 
| 10 | < | *    publication of scientific results based in part on use of the | 
| 11 | < | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | < | *    the article in which the program was described (Matthew | 
| 13 | < | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | < | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | < | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | < | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | < | * | 
| 18 | < | * 2. Redistributions of source code must retain the above copyright | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 |  | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  | *    documentation and/or other materials provided with the | 
| 15 |  | *    distribution. | 
| 28 |  | * arising out of the use of or inability to use software, even if the | 
| 29 |  | * University of Notre Dame has been advised of the possibility of | 
| 30 |  | * such damages. | 
| 31 | + | * | 
| 32 | + | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | + | * research, please cite the appropriate papers when you publish your | 
| 34 | + | * work.  Good starting points are: | 
| 35 | + | * | 
| 36 | + | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | + | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | + | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | 
| 39 | + | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | + | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 |  |  | 
| 43 |  | #include "selection/TokenMap.hpp" | 
| 44 |  |  | 
| 45 | < | namespace oopse { | 
| 45 | > | namespace OpenMD { | 
| 46 |  |  | 
| 47 |  | TokenMap* TokenMap::instance_ = NULL; | 
| 48 |  |  | 
| 70 |  | tokenMap_.insert(TokenMapType::value_type("<", Token(Token::opLT, std::string("<")))); | 
| 71 |  | tokenMap_.insert(TokenMapType::value_type("<=", Token(Token::opLE, std::string("<=")))); | 
| 72 |  | tokenMap_.insert(TokenMapType::value_type(">=", Token(Token::opGE, std::string(">=")))); | 
| 73 | < | tokenMap_.insert(TokenMapType::value_type(">", Token(Token::opGT, std::string(">=")))); | 
| 73 | > | tokenMap_.insert(TokenMapType::value_type(">", Token(Token::opGT, std::string(">")))); | 
| 74 |  | tokenMap_.insert(TokenMapType::value_type("==", Token(Token::opEQ, std::string("==")))); | 
| 75 |  | tokenMap_.insert(TokenMapType::value_type("!=", Token(Token::opNE, std::string("!=")))); | 
| 76 |  | tokenMap_.insert(TokenMapType::value_type("within", Token(Token::within, std::string("within")))); | 
| 77 |  | tokenMap_.insert(TokenMapType::value_type(".", Token(Token::dot, std::string(".")))); | 
| 78 |  | tokenMap_.insert(TokenMapType::value_type("mass", Token(Token::mass, std::string("mass")))); | 
| 79 |  | tokenMap_.insert(TokenMapType::value_type("charge", Token(Token::charge, std::string("charge")))); | 
| 80 | + | tokenMap_.insert(TokenMapType::value_type("hull", Token(Token::hull, std::string("hull")))); | 
| 81 |  | tokenMap_.insert(TokenMapType::value_type("x", Token(Token::x, std::string("x")))); | 
| 82 |  | tokenMap_.insert(TokenMapType::value_type("y", Token(Token::y, std::string("y")))); | 
| 83 |  | tokenMap_.insert(TokenMapType::value_type("z", Token(Token::z, std::string("z")))); | 
| 84 | + | tokenMap_.insert(TokenMapType::value_type("r", Token(Token::r, std::string("r")))); | 
| 85 |  | tokenMap_.insert(TokenMapType::value_type("to", Token(Token::to, std::string("to")))); | 
| 86 |  |  | 
| 87 |  | tokenMap_.insert(TokenMapType::value_type("all", Token(Token::all, std::string("all")))); |