ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/trunk/src/math/SphericalHarmonic.cpp

Comparing trunk/src/math/SphericalHarmonic.cpp (file contents):
Revision 1043 by gezelter, Thu Sep 21 14:45:08 2006 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 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.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines