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root/OpenMD/branches/development/src/visitors/AtomData.hpp

Comparing:
trunk/src/visitors/AtomData.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/visitors/AtomData.hpp (file contents), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

#	Line 35 | Line 35
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]  Vardeman & Gezelter, in progress (2009).
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
43		#ifndef VISITOR_ATOMDATA_HPP
#	Line 50 | Line 51 | namespace OpenMD {
51		namespace OpenMD {
52
53		struct AtomInfo {
54	<	AtomInfo() : hasCharge(false), hasVector(false) {}
55	<
54	>	AtomInfo() : hasCharge(false), hasVector(false), hasVelocity(false),
55	>	hasForce(false), pos(V3Zero), vec(V3Zero), vel(V3Zero),
56	>	frc(V3Zero), charge(0.0) {}
57	>
58		std::string atomTypeName;
59		Vector3d pos;
60	<	Vector3d dipole;
60	>	Vector3d vec;
61	>	Vector3d vel;
62	>	Vector3d frc;
63		RealType charge;
64		bool hasCharge;
65		bool hasVector;
66	+	bool hasVelocity;
67	+	bool hasForce;
68		};
69
70		class AtomData : public GenericData{

Comparing:
trunk/src/visitors/AtomData.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/visitors/AtomData.hpp (property svn:keywords), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

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