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root/group/trunk/OOPSE/libmdtools/ForceFields.hpp
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Comparing trunk/OOPSE/libmdtools/ForceFields.hpp (file contents):
Revision 424 by mmeineke, Thu Mar 27 20:36:16 2003 UTC vs.
Revision 500 by chuckv, Tue Apr 15 20:40:04 2003 UTC

# Line 146 | Line 146 | class LJ_FF : public ForceFields{ (private)
146    void fastForward( char* stopText, char* searchOwner );
147  
148   };
149 + class EAM_FF : public ForceFields{
150  
151 + public:
152 +  EAM_FF();
153 +  virtual ~EAM_FF();
154 +  
155 +
156 +  void readParams();
157 +  void cleanMe( void );
158 +
159 +  void initializeAtoms( int nAtoms, Atom** atomArray );
160 +  void initializeBonds( int nBonds, Bond** bondArray,
161 +                        bond_pair* the_bonds );
162 +  void initializeBends( int nBends, Bend** bendArray,
163 +                        bend_set* the_bends );
164 +  void initializeTorsions( int nTorsions, Torsion** torsionArray,
165 +                           torsion_set* the_torsions );
166 +
167 +  void initForceField( int ljMixRule );
168 +
169 + private:
170 +
171 +  void fastForward( char* stopText, char* searchOwner );
172 +
173 + };
174 +
175   #endif
176  

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