[ViewVC] Diff of: group/trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp

Comparing trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp (file contents):
Revision 1930 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 2375 by gezelter, Mon Oct 17 19:12:45 2005 UTC

#	Line 1 \| Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 71 \| Line 71 \| class DirectionalAtomType : public AtomType {
71		electroBodyFrame_ =electroBodyFrame;
72		}
73
74	<	void setDipole() { atp.is_Dipole = 1; }
75	<
74	>	void setDipole() { atp.is_Dipole = 1; }
75	>	void setSplitDipole() { atp.is_SplitDipole = 1; atp.is_Dipole=1;}
76		void setQuadrupole() { atp.is_Quadrupole = 1; }
77	+	void setGayBerne() { atp.is_GayBerne = 1; }
78	+	void setSticky() { atp.is_Sticky = 1; }
79	+	void setStickyPower() { atp.is_StickyPower = 1; }
80	+	void setShape() { atp.is_Shape = 1;}
81
78	–	void setGayBerne() { atp.is_GayBerne = 1; }
79	–
80	–	void setSticky() { atp.is_Sticky = 1; }
81	–
82	–	void setShape() { atp.is_Shape = 1;}
83	–
82		virtual void complete();
83
84		private:
#	Line 91 \| Line 89 \| double w0;
89
90
91		struct StickyParam {
92	<	double w0;
93	<	double v0;
94	<	double v0p;
95	<	double rl;
96	<	double ru;
97	<	double rlp;
98	<	double rup;
92	>	double w0;
93	>	double v0;
94	>	double v0p;
95	>	double rl;
96	>	double ru;
97	>	double rlp;
98	>	double rup;
99		};
100
101	+	struct GayBerneParam{
102	+	double GB_sigma;
103	+	double GB_eps;
104	+	double GB_mu;
105	+	double GB_nu;
106	+	double GB_eps_ratio;
107	+	double GB_l2b_ratio;
108	+	};
109	+
110		typedef SimpleTypeData<StickyParam> StickyParamGenericData;
111
112	+	typedef SimpleTypeData<GayBerneParam> GayBerneParamGenericData;
113	+
114		typedef SimpleTypeData<Vector3d> Vector3dGenericData;
115
116		}

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