ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE_old/src/mdtools/libmdCode/ForceFields.hpp
(Generate patch)

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/ForceFields.hpp (file contents):
Revision 294 by mmeineke, Thu Mar 6 17:04:09 2003 UTC vs.
Revision 299 by mmeineke, Fri Mar 7 19:31:02 2003 UTC

# Line 56 | Line 56 | class ForceFields{ (public)
56    virtual void initializeBonds( bond_pair* the_bonds ) = 0;
57    virtual void initializeBends( bend_set* the_bends ) = 0;
58    virtual void initializeTorsions( torsion_set* the_torsions ) = 0;
59 <  virtual void doForces( int calcPot ) = 0;
59 >  virtual void doForces( int calcPot );
60  
61    void setFortranForceLoop( void (*fsub) doForceLoopList ){
62      fortranForceLoop = fsub;
# Line 64 | Line 64 | class ForceFields{ (public)
64  
65   protected:
66    
67 +  void initFortran( void );
68    void (*fortranForceLoop) doForceLoopList;
69  
70    FILE *frcFile;
# Line 85 | Line 86 | class TraPPEFF : public ForceFields{ (public)
86    void initializeBonds( bond_pair* the_bonds );
87    void initializeBends( bend_set* the_bends );
88    void initializeTorsions( torsion_set* the_torsions );
88 –  void doForces( int ) {}
89   };
90  
91  
# Line 99 | Line 99 | class DipoleTestFF : public ForceFields{ (public)
99    void initializeBonds( bond_pair* the_bonds );
100    void initializeBends( bend_set* the_bends );
101    void initializeTorsions( torsion_set* the_torsions );
102 –  void doForces( int ) {}
102   };
103  
104   class TraPPE_ExFF : public ForceFields{
# Line 112 | Line 111 | class TraPPE_ExFF : public ForceFields{ (public)
111    void initializeBonds( bond_pair* the_bonds );
112    void initializeBends( bend_set* the_bends );
113    void initializeTorsions( torsion_set* the_torsions );
115 –  void doForces( int );
114  
115   private:
116    
117    void fastForward( char* stopText, char* searchOwner );
120 –  void initFortran( void );
121 –
118   };
119  
120   class LJ_FF : public ForceFields{
# Line 132 | Line 128 | class LJ_FF : public ForceFields{ (public)
128    void initializeBends( bend_set* the_bends );
129    void initializeTorsions( torsion_set* the_torsions );
130  
135 –  void doForces( int );
136 –
131   private:
132  
133    void fastForward( char* stopText, char* searchOwner );
140 –
141 –  void initFortran( void );
134   };
135  
136   // class SSD_FF : public ForceFields{

Diff Legend

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