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root/group/trunk/mdtools/headers/ForceFields.hpp
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Comparing trunk/mdtools/headers/ForceFields.hpp (file contents):
Revision 237 by mmeineke, Fri Jan 17 21:53:33 2003 UTC vs.
Revision 248 by chuckv, Mon Jan 27 19:28:21 2003 UTC

# Line 1 | Line 1
1 < #ifndef __FORCEFIELDS_H__
1 > \#ifndef __FORCEFIELDS_H__
2   #define __FORCEFIELDS_H__
3  
4   #include <cstdio>
# Line 41 | Line 41 | class torsion_set{ (public)
41    int d;
42   };
43  
44 – // typedef struct{
45 – //   int a, b;
46 – // } bond_pair;
44  
48 – // typedef struct{
49 – //   int a, b, c;
50 – // } bend_set;
45  
52 – // typedef struct{
53 – //   int a, b, c, d;
54 – // } torsion_set;
55 –
56 –
46   class ForceFields{
47  
48   public:
# Line 146 | Line 135 | class LJ_FF : public ForceFields{ (private)
135                         double* forceArray,
136                         double* potentialEnergy,
137                         short int* doPotentialCalc );
138 <
138 >  void initFortran( void );
139   };
140  
141   #endif

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