--- trunk/src/applications/dynamicProps/DynamicProps.cpp 2009/11/13 20:18:11 1389 +++ trunk/src/applications/dynamicProps/DynamicProps.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. @@ -37,6 +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). */ #include @@ -59,7 +59,7 @@ #include "applications/dynamicProps/EnergyCorrFunc.hpp" -using namespace oopse; +using namespace OpenMD; int main(int argc, char* argv[]){ @@ -83,13 +83,13 @@ int main(int argc, char* argv[]){ if (args_info.sele1_given) { sele1 = args_info.sele1_arg; }else { - char* sele1Env= getenv("OOPSE_SELE1"); + char* sele1Env= getenv("SELECTION1"); if (sele1Env) { sele1 = sele1Env; }else { sprintf( painCave.errMsg, - "neither --sele1 option nor $OOPSE_SELE1 is set"); - painCave.severity = OOPSE_ERROR; + "neither --sele1 option nor $SELECTION1 is set"); + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); } @@ -98,7 +98,7 @@ int main(int argc, char* argv[]){ if (args_info.sele2_given) { sele2 = args_info.sele2_arg; }else { - char* sele2Env = getenv("OOPSE_SELE2"); + char* sele2Env = getenv("SELECTION2"); if (sele2Env) { sele2 = sele2Env; } else { @@ -133,7 +133,7 @@ int main(int argc, char* argv[]){ else { sprintf( painCave.errMsg, "--order must be set if --lcoor is set\n"); - painCave.severity = OOPSE_ERROR; + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); }