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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/ForceFields.hpp
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Comparing trunk/OOPSE_old/src/mdtools/libmdCode/ForceFields.hpp (file contents):
Revision 308 by mmeineke, Mon Mar 10 21:44:31 2003 UTC vs.
Revision 345 by mmeineke, Fri Mar 14 18:35:35 2003 UTC

# Line 1 | Line 1
1   #ifndef __FORCEFIELDS_H__
2   #define __FORCEFIELDS_H__
3  
4 + #define MK_STR(s) # s
5 + #define STR_DEFINE(t, s) t = MK_STR(s)
6 +
7 +
8   #include <cstdio>
9   #include <cstdlib>
10  
# Line 136 | Line 140 | class LJ_FF : public ForceFields{ (private)
140    void fastForward( char* stopText, char* searchOwner );
141   };
142  
139 // class SSD_FF : public ForceFields{
140
141 // public:
142 //   SSD_FF();
143 //   virtual ~SSD_FF();
144  
145 //   void initializeAtoms( void );
146 //   void initializeBonds( bond_pair* the_bonds );
147 //   void initializeBends( bend_set* the_bends );
148 //   void initializeTorsions( torsion_set* the_torsions );
149 //   void setSSDfortran( void (*fortranSub)( double* positionArray,
150 //                                       double* forceArray,
151 //                                       double* potentialEnergy,
152 //                                       short int* doPotentialCalc ) ){
153 //     doSSDfortran = fortranSub;
154 //   }
155 //   void doForces( int );
156
157 // private:
158
159 //   void fastForward( char* stopText, char* searchOwner );
160  
161 //   // set our sister fortran module's function to be our own.
162 //   void wrapMe( void );
163 //   void (*doSSDfortran)( double* positionArray,
164 //                      double* forceArray,
165 //                      double* potentialEnergy,
166 //                      short int* doPotentialCalc );
167 //   void initFortran( void );
168 // };
169
143   #endif
144 +

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