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root/group/trunk/mdtools/headers/ForceFields.hpp
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Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 248 by chuckv, Mon Jan 27 19:28:21 2003 UTC vs.
Revision 253 by chuckv, Thu Jan 30 15:20:21 2003 UTC

# Line 1 | Line 1
1 < \#ifndef __FORCEFIELDS_H__
1 > #ifndef __FORCEFIELDS_H__
2   #define __FORCEFIELDS_H__
3  
4   #include <cstdio>
# Line 54 | Line 54 | class ForceFields{ (public)
54    virtual void initializeBonds( bond_pair* the_bonds ) = 0;
55    virtual void initializeBends( bend_set* the_bends ) = 0;
56    virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
57 <  virtual void doForces( void ) = 0;
57 >  virtual void doForces( int calcPot ) = 0;
58  
59   protected:
60    
# Line 77 | Line 77 | class TraPPEFF : public ForceFields{ (public)
77    void initializeBonds( bond_pair* the_bonds );
78    void initializeBends( bend_set* the_bends );
79    void initializeTorsions( torsion_set* the_torsions );
80 <  void doForces( void ) {}
80 >  void doForces( int ) {}
81   };
82  
83  
# Line 91 | Line 91 | class DipoleTestFF : public ForceFields{ (public)
91    void initializeBonds( bond_pair* the_bonds );
92    void initializeBends( bend_set* the_bends );
93    void initializeTorsions( torsion_set* the_torsions );
94 <  void doForces( void ) {}
94 >  void doForces( int ) {}
95   };
96  
97   class TraPPE_ExFF : public ForceFields{
# Line 104 | Line 104 | class TraPPE_ExFF : public ForceFields{ (public)
104    void initializeBonds( bond_pair* the_bonds );
105    void initializeBends( bend_set* the_bends );
106    void initializeTorsions( torsion_set* the_torsions );
107 <  void doForces( void ) {}
107 >  void doForces( int ) {}
108   };
109  
110   class LJ_FF : public ForceFields{
# Line 123 | Line 123 | class LJ_FF : public ForceFields{ (public)
123                                           short int* doPotentialCalc ) ){
124      doLJfortran = fortranSub;
125    }
126 <  void doForces( void );
126 >  void doForces( int );
127  
128   private:
129  

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