BALL  1.5.0
charmmBend.h
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1 // -*- Mode: C++; tab-width: 2; -*-
2 // vi: set ts=2:
3 //
4 // Molecular Mechanics: Charmm force field, bond stretch component
5 
6 #ifndef BALL_MOLMEC_CHARMM_CHARMMBEND_H
7 #define BALL_MOLMEC_CHARMM_CHARMMBEND_H
8 
9 #ifndef BALL_COMMON_H
10 # include <BALL/common.h>
11 #endif
12 
13 #ifndef BALL_MOLMEC_COMMON_BENDCOMPONENT_H
15 #endif
16 
17 namespace BALL
18 {
24  {
25  public:
26 
28 
29 
30  #define CHARMM_BENDS_ENABLED "enable Bends"
31 
35 
39 
42  CharmmBend(ForceField& force_field);
43 
46  virtual ~CharmmBend();
47 
49 
52 
56  virtual bool setup();
58  };
59 } // namespace BALL
60 
61 #endif // BALL_MOLMEC_CHARMM_CHARMMBEND_H
#define BALL_CREATE(name)
Definition: create.h:62
Definition: constants.h:13
virtual bool setup()
virtual ~CharmmBend()
CharmmBend(ForceField &force_field)
#define BALL_EXPORT
Definition: COMMON/global.h:50