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Comparing:
trunk/src/math/SphericalHarmonic.cpp (file contents), Revision 1043 by gezelter, Thu Sep 21 14:45:08 2006 UTC vs.
branches/development/src/math/SphericalHarmonic.cpp (file contents), Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC

# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
36 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 + * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 + * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42 <
42 >
43 > #include "config.h"
44   #include <stdio.h>
45 + #include <cmath>
46   #include <limits>
47   #include "math/SphericalHarmonic.hpp"
48   #include "utils/simError.h"
49  
50 < using namespace oopse;
50 > using namespace OpenMD;
51  
52   SphericalHarmonic::SphericalHarmonic() {
53   }
# Line 140 | Line 143 | RealType SphericalHarmonic::Ptilde(int l,int m, RealTy
143      result = 0.;
144    } else {
145      RealType y=(RealType)(2.*l+1.)*Fact(l-m)/Fact(l+m);
146 <    result = sqrt(y) * Legendre(l,m,x);
146 >    result = mpow(m) * sqrt(y) * Legendre(l,m,x) / sqrt(4.0*M_PI);
147    }
148    return result;
149   }

Comparing:
trunk/src/math/SphericalHarmonic.cpp (property svn:keywords), Revision 1043 by gezelter, Thu Sep 21 14:45:08 2006 UTC vs.
branches/development/src/math/SphericalHarmonic.cpp (property svn:keywords), Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC

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