--- trunk/src/selection/IndexFinder.cpp 2005/12/02 15:38:03 770 +++ trunk/src/selection/IndexFinder.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. @@ -37,10 +28,19 @@ * 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). */ #include "selection/IndexFinder.hpp" #include "primitives/Molecule.hpp" -namespace oopse { +namespace OpenMD { @@ -62,7 +62,7 @@ namespace oopse { for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) { - OOPSEBitSet bs(nStuntDoubles_); + OpenMDBitSet bs(nStuntDoubles_); for(atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) { bs.setBitOn(atom->getGlobalIndex()); } @@ -76,12 +76,12 @@ namespace oopse { } - OOPSEBitSet IndexFinder::find(int molIndex){ + OpenMDBitSet IndexFinder::find(int molIndex){ return bitSets_[molIndex]; } - OOPSEBitSet IndexFinder::find(int begMolIndex, int endMolIndex){ - OOPSEBitSet bs(nStuntDoubles_); + OpenMDBitSet IndexFinder::find(int begMolIndex, int endMolIndex){ + OpenMDBitSet bs(nStuntDoubles_); for (int i = begMolIndex; i < endMolIndex; ++i) { bs |= bitSets_[i];