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root/OpenMD/branches/development/src/brains/Stats.hpp

Comparing:
trunk/src/brains/Stats.hpp (file contents), Revision 1126 by gezelter, Fri Apr 6 21:53:43 2007 UTC vs.
branches/development/src/brains/Stats.hpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 1 | Line 1
1		/*
2	<	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
2	>	* Copyright (c) 2005, 2009 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
5		* non-exclusive, royalty free, license to use, modify and
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
43		/**
#	Line 54 | Line 55
55		#include <map>
56
57		#include "math/SquareMatrix3.hpp"
58	<	namespace oopse {
58	>	namespace OpenMD {
59
60		/**
61		* @class Stats Stats.hpp "brains/Stats.hpp"
#	Line 70 | Line 71 | namespace oopse {
71		TEMPERATURE,
72		PRESSURE,
73		VOLUME,
74	+	HULLVOLUME,
75	+	GYRVOLUME,
76		CONSERVED_QUANTITY,
77		TRANSLATIONAL_KINETIC,
78		ROTATIONAL_KINETIC,
#	Line 80 | Line 83 | namespace oopse {
83		BOND_POTENTIAL,
84		BEND_POTENTIAL,
85		DIHEDRAL_POTENTIAL,
86	<	IMPROPER_POTENTIAL,
86	>	INVERSION_POTENTIAL,
87		VRAW,
88		VHARM,
89		PRESSURE_TENSOR_XX,
#	Line 95 | Line 98 | namespace oopse {
98		BOX_DIPOLE_X,
99		BOX_DIPOLE_Y,
100		BOX_DIPOLE_Z,
101	+	TAGGED_PAIR_DISTANCE,
102	+	RNEMD_EXCHANGE_TOTAL,
103	+	SHADOWH,
104		ENDINDEX  //internal use
105		};
106
#	Line 141 | Line 147 | namespace oopse {
147
148
149
150	<	} //end namespace oopse
150	>	} //end namespace OpenMD
151		#endif //BRAINS_STATS_HPP

Comparing:
trunk/src/brains/Stats.hpp (property svn:keywords), Revision 1126 by gezelter, Fri Apr 6 21:53:43 2007 UTC vs.
branches/development/src/brains/Stats.hpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

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