NAMD
ComputeHomePatch.h
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1 
7 /*
8  Compute object which deals with a single patch.
9 */
10 
11 #ifndef COMPUTEHOMEPATCH_H
12 #define COMPUTEHOMEPATCH_H
13 
14 #include "Compute.h"
15 #include "PatchTypes.h"
16 
17 #include "Box.h"
18 #include "OwnerBox.h"
19 
20 class Patch;
21 class HomePatch;
22 class Node;
23 class PatchMap;
24 
25 class ComputeHomePatch : public Compute {
26 
27 public:
29  virtual ~ComputeHomePatch();
30 
31  virtual void initialize();
32  virtual void atomUpdate();
33  virtual void doWork();
34 
35 protected :
36  int numAtoms;
37  virtual void doForce(FullAtom* p, Results* r) = 0;
40 
41 private:
42  PatchID patchID;
43  Box<Patch,CompAtom> *positionBox;
44  Box<Patch,Results> *forceBox;
45 
46 };
47 
48 #endif
49 
virtual ~ComputeHomePatch()
Definition: Node.h:78
int ComputeID
Definition: NamdTypes.h:183
virtual void initialize()
Definition: Patch.h:35
virtual void doWork()
int PatchID
Definition: NamdTypes.h:182
virtual void doForce(FullAtom *p, Results *r)=0
virtual void atomUpdate()
HomePatch * homePatch
ComputeHomePatch(ComputeID c, PatchID pid)