ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp
(Generate patch)

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 2228 by chuckv, Tue May 17 04:20:09 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 97 | Line 98 | typedef SimpleTypeData<StickyParam> StickyParamGeneric
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_12b_ratio;
108 + };
109 +
110   typedef SimpleTypeData<StickyParam> StickyParamGenericData;
111  
112 + typedef SimpleTypeData<GayBerneParam> GayBerneParamGenericData;
113 +
114   typedef SimpleTypeData<Vector3d> Vector3dGenericData;
115    
116   }

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines