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root/OpenMD/branches/development/src/primitives/Atom.hpp

Comparing:
trunk/src/primitives/Atom.hpp (file contents), Revision 1306 by chuckv, Thu Oct 16 18:25:36 2008 UTC vs.
branches/development/src/primitives/Atom.hpp (file contents), Revision 1710 by gezelter, Fri May 18 21:44:02 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
43		/**
#	Line 52 | Line 53
53		#include "primitives/StuntDouble.hpp"
54		#include "types/AtomType.hpp"
55
56	<	namespace oopse{
56	>	namespace OpenMD{
57		class Atom : public StuntDouble {
58		public:
59		Atom(AtomType* at);
#	Line 93 | Line 94 | namespace oopse{
94		bool isDipole()  {
95		return atomType_->isDipole();
96		}
96	–
97	–	bool isQudrapole()  {
98	–	return atomType_->isQuadrupole();
99	–	}
97
98		bool isMultipole()  {
99		return atomType_->isMultipole();
#	Line 126 | Line 123 | namespace oopse{
123		AtomType* atomType_;
124		};
125
126	<	}//namepace oopse
126	>	}//namespace OpenMD
127
128		#endif //PRIMITIVES_ATOM_HPP

Comparing:
trunk/src/primitives/Atom.hpp (property svn:keywords), Revision 1306 by chuckv, Thu Oct 16 18:25:36 2008 UTC vs.
branches/development/src/primitives/Atom.hpp (property svn:keywords), Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC

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