ComputeMsm.h

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00001 
00007 #ifndef COMPUTEMSM_H
00008 #define COMPUTEMSM_H
00009 
00010 #include "Lattice.h"
00011 #include "ComputeMsmMgr.decl.h"
00012 #include "ComputeHomePatches.h"
00013 #include "NamdTypes.h"
00014 
00015 
00016 class ComputeMsmMgr;
00017 class SubmitReduction;
00018 
00019 class MsmInitMsg : public CMessage_MsmInitMsg {
00020   public:
00021     ScaledPosition smin, smax;  // needs the extreme positions
00022 };
00023 
00024 
00025 class ComputeMsm : public ComputeHomePatches {
00026 public:
00027   ComputeMsm(ComputeID c);
00028   virtual ~ComputeMsm();
00029   void doWork();
00030   void saveResults();
00031 
00032   void setMgr(ComputeMsmMgr *mgr) { myMgr = mgr; }
00033 
00034 private:
00035   SubmitReduction *reduction;
00036   ComputeMsmMgr *myMgr;  // points to the local MSM manager
00037 
00038   Real qscaling;  // charge scaling constant
00039 
00040   int numLocalPatches;   // total number of local patches to expect
00041   int cntLocalPatches;   // count local patches into saveResults()
00042 };
00043 
00044 
00045 #endif // COMPUTEMSM_H

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