ComputeDPMTA.h

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00001 
00007 #ifndef COMPUTEDPMTA_H
00008 #define COMPUTEDPMTA_H
00009 
00010 #include "ComputeHomePatches.h"
00011 
00012 class SubmitReduction;
00013 
00014 #ifdef DPMTA
00015 
00016 extern "C"
00017   {
00018   #include "dpmta.h"
00019   }
00020 
00021 class ComputeDPMTA : public ComputeHomePatches {
00022 private:
00023   int *slavetids;       //  PID for slave processes
00024   int totalAtoms;       //  Total number of atoms being dealt with
00025   PmtaPartInfo *fmaResults;     //  Results from the PMTA code
00026   PmtaPartInfo *ljResults;      //  Results from the PMTA code
00027   Vector boxsize;       // FMA box size, set by get_FMA_cube()
00028   Vector boxcenter;     // FMA box center, set by get_FMA_cube()
00029   int usePBC;           // flag for PBC
00030   Vector initLattice;   // initial system lattice dimensions
00031   SubmitReduction *reduction;
00032 
00033   void get_FMA_cube(int resize);
00034 
00035 public:
00036   ComputeDPMTA(ComputeID c);
00037   void initialize();
00038   virtual ~ComputeDPMTA();
00039   void doWork();
00040 };
00041 
00042 #endif
00043 #endif
00044 

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