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root/group/trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp
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Comparing trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp (file contents):
Revision 2094 by gezelter, Wed Mar 9 14:26:15 2005 UTC vs.
Revision 2375 by gezelter, Mon Oct 17 19:12:45 2005 UTC

# Line 76 | Line 76 | class DirectionalAtomType : public AtomType {
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  
82          virtual void complete();
# Line 88 | 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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