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root/group/trunk/OOPSE-4/src/UseTheForce/ForceFields.hpp
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Comparing trunk/OOPSE-4/src/UseTheForce/ForceFields.hpp (file contents):
Revision 1670 by gezelter, Thu Oct 28 16:56:20 2004 UTC vs.
Revision 1688 by chrisfen, Fri Oct 29 22:28:12 2004 UTC

# Line 272 | Line 272 | class Shapes_FF : public ForceFields{ (public)
272                             torsion_set* the_torsions );
273  
274    void initForceField();
275 –
276 –  void parseShapeFile(string shapeFileName, ShapeAtomType* st);
275  
276    void calcRcut( void );
277 +
278 +  void parseShapeFile(string shapeFileName, ShapeAtomType* st);
279  
280   private:
281  
282    double findLargestContactDistance(ShapeAtomType* st);
283 +  double findCutoffDistance(ShapeAtomType* st);
284    double shapesRcut;
285 +  double bigContact;
286  
287   };
288  

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