[ViewVC] Diff of: OpenMD/trunk/src/primitives/Torsion.hpp

Comparing trunk/src/primitives/Torsion.hpp (file contents):
Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

#	Line 55 \| Line 55 \| struct TorsionData {
55
56		namespace oopse {
57		struct TorsionData {
58	<	double angle;
59	<	double potential;
58	>	RealType angle;
59	>	RealType potential;
60		};
61
62		struct TorsionDataSet {
63	<	double deltaV;
63	>	RealType deltaV;
64		TorsionData prev;
65		TorsionData curr;
66		};
#	Line 73 \| Line 73 \| struct TorsionDataSet {
73		public:
74		Torsion(Atom* atom1, Atom* atom2, Atom* atom3, Atom* atom4, TorsionType* tt);
75		virtual ~Torsion() {}
76	<	virtual void calcForce(double& angle);
76	>	virtual void calcForce(RealType& angle);
77
78	<	double getPotential() {
78	>	RealType getPotential() {
79		return potential_;
80		}
81
#	Line 108 \| Line 108 \| struct TorsionDataSet {
108
109		TorsionType* torsionType_;
110
111	<	double potential_;
111	>	RealType potential_;
112		};
113
114		}

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