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root/group/trunk/mdtools/headers/ForceFields.hpp
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Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 233 by mmeineke, Fri Jan 10 21:55:45 2003 UTC vs.
Revision 237 by mmeineke, Fri Jan 17 21:53:33 2003 UTC

# Line 65 | Line 65 | class ForceFields{ (public)
65    virtual void initializeBonds( bond_pair* the_bonds ) = 0;
66    virtual void initializeBends( bend_set* the_bends ) = 0;
67    virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
68 +  virtual void doForces( void ) = 0;
69  
70   protected:
71    
# Line 87 | Line 88 | class TraPPEFF : public ForceFields{ (public)
88    void initializeBonds( bond_pair* the_bonds );
89    void initializeBends( bend_set* the_bends );
90    void initializeTorsions( torsion_set* the_torsions );
91 +  void doForces( void ) {}
92   };
93  
94  
# Line 100 | Line 102 | class DipoleTestFF : public ForceFields{ (public)
102    void initializeBonds( bond_pair* the_bonds );
103    void initializeBends( bend_set* the_bends );
104    void initializeTorsions( torsion_set* the_torsions );
105 +  void doForces( void ) {}
106   };
107  
108   class TraPPE_ExFF : public ForceFields{
# Line 112 | Line 115 | class TraPPE_ExFF : public ForceFields{ (public)
115    void initializeBonds( bond_pair* the_bonds );
116    void initializeBends( bend_set* the_bends );
117    void initializeTorsions( torsion_set* the_torsions );
118 +  void doForces( void ) {}
119   };
120  
121   class LJ_FF : public ForceFields{
# Line 130 | Line 134 | class LJ_FF : public ForceFields{ (public)
134                                           short int* doPotentialCalc ) ){
135      doLJfortran = fortranSub;
136    }
137 +  void doForces( void );
138  
134 –
139   private:
140  
141    void fastForward( char* stopText, char* searchOwner );

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