--- trunk/src/math/SphericalHarmonic.cpp 2006/09/21 14:45:08 1043 +++ branches/development/src/math/SphericalHarmonic.cpp 2010/07/09 23:08:25 1465 @@ -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. @@ -37,14 +28,24 @@ * 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 +#include #include #include "math/SphericalHarmonic.hpp" #include "utils/simError.h" -using namespace oopse; +using namespace OpenMD; SphericalHarmonic::SphericalHarmonic() { } @@ -140,7 +141,7 @@ RealType SphericalHarmonic::Ptilde(int l,int m, RealTy result = 0.; } else { RealType y=(RealType)(2.*l+1.)*Fact(l-m)/Fact(l+m); - result = sqrt(y) * Legendre(l,m,x); + result = mpow(m) * sqrt(y) * Legendre(l,m,x) / sqrt(4.0*M_PI); } return result; }