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root/OpenMD/trunk/src/applications/staticProps/RippleOP.hpp

Comparing trunk/src/applications/staticProps/RippleOP.hpp (file contents):
Revision 980 by xsun, Thu Jun 1 18:06:33 2006 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 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, 234107 (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		#ifndef APPLICATIONS_STATICPROPS_RIPPLEOP_HPP
43		#define APPLICATIONS_STATICPROPS_RIPPLEOP_HPP
#	Line 44 | Line 45
45		#include "selection/SelectionManager.hpp"
46		#include "applications/staticProps/StaticAnalyser.hpp"
47
48	<	namespace oopse {
48	>	namespace OpenMD {
49
50		class RippleOP : public StaticAnalyser{
51
#	Line 70 | Line 71 | namespace oopse {
71		SelectionEvaluator evaluator1_;
72		SelectionEvaluator evaluator2_;
73		std::vector<std::pair<StuntDouble*, StuntDouble*> > sdPairs_;  /**< each pair is used to define a vector, vector = first - second */
74	<	std::vector<OrderParam> orderParamsHead_, orderParamsTail_;
75	<	OrderParam avgOPHead, errOPHead, avgOPTail, errOPTail;
74	>	std::vector<OrderParam> orderParamsHeadUpper_, orderParamsHeadLower_, orderParamsTail_;
75	>	OrderParam avgOPHeadUpper, avgOPHeadLower, errOPHeadUpper, errOPHeadLower, avgOPTail, errOPTail;
76
77		};
78		}

Comparing trunk/src/applications/staticProps/RippleOP.hpp (property svn:keywords):
Revision 980 by xsun, Thu Jun 1 18:06:33 2006 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
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