--- trunk/src/applications/hydrodynamics/AnalyticalModel.cpp 2006/06/05 18:24:45 981 +++ trunk/src/applications/hydrodynamics/AnalyticalModel.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. @@ -37,13 +28,22 @@ * 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 "applications/hydrodynamics/AnalyticalModel.hpp" #include "hydrodynamics/Sphere.hpp" #include "hydrodynamics/Ellipsoid.hpp" #include "applications/hydrodynamics/CompositeShape.hpp" #include "math/LU.hpp" -namespace oopse { +namespace OpenMD { bool AnalyticalModel::calcHydroProps(Shape* shape, RealType viscosity, RealType temperature) { @@ -64,11 +64,15 @@ namespace oopse { } else { CompositeShape* composite = dynamic_cast(shape); if (composite != NULL) { +// props = composite->getHydroProp(viscosity, temperature); +// setCR(props); +// setCD(props); +// return true; return false; } else { sprintf( painCave.errMsg, "Could not figure out what kind of shape this is!\n"); - painCave.severity = OOPSE_ERROR; + painCave.severity = OPENMD_ERROR; painCave.isFatal = 1; simError(); return false;