--- trunk/src/selection/SelectionToken.hpp 2005/12/02 15:38:03 770 +++ trunk/src/selection/SelectionToken.hpp 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. @@ -37,6 +28,15 @@ * 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] Vardeman & Gezelter, in progress (2009). */ #ifndef SELECTION_TOKEN_HPP @@ -47,7 +47,7 @@ #include #include "utils/any.hpp" -namespace oopse { +namespace OpenMD { /** @@ -130,7 +130,7 @@ namespace oopse { // atom expression operators const static int leftparen = expression | 0; const static int rightparen = expression | 1; - const static int to = expression | 2; + const static int to = expression | 2; const static int opAnd = expression | 3; const static int opOr = expression | 4; const static int opNot = expression | 5; @@ -138,8 +138,8 @@ namespace oopse { const static int asterisk = expression | 7; const static int dot = expression | 8; const static int all = expression | 9 ; - const static int none = expression | 10; - const static int name = expression | 11; + const static int none = expression | 10; + const static int name = expression | 11; // miguel 2005 01 01 // these are used to demark the beginning and end of expressions // they do not exist in the source code, but are emitted by the @@ -149,6 +149,9 @@ namespace oopse { const static int mass = atomproperty | 0; const static int charge = atomproperty | 1; + const static int x = atomproperty | dynamic | 2; + const static int y = atomproperty | dynamic | 3; + const static int z = atomproperty | dynamic | 4; const static int opGT = comparator | 0; const static int opGE = comparator | 1;