ComputeGBISser.h

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00001 
00007 /*******************************************************************************
00008  *******************************************************************************
00009   This serial version of GBIS is out of date and hasn't been vetted;
00010   it is to be used as a way of testing new implicit solvent models
00011   since all atomic coordinates are gathered into a single Compute.
00012  *******************************************************************************
00013  ******************************************************************************/
00014 
00015 #ifndef COMPUTEGBIS_H
00016 #define COMPUTEGBIS_H
00017 
00018 #include "ComputeHomePatches.h"
00019 #include "NamdTypes.h"
00020 
00021 class SubmitReduction;
00022 class GBISForceMsg;
00023 class ComputeGBISAtom;
00024 
00025 class ComputeGBISser : public ComputeHomePatches {
00026 public:
00027   ComputeGBISser(ComputeID c);
00028   virtual ~ComputeGBISser();
00029   void doWork();
00030   void saveResults(GBISForceMsg *);
00031 
00032  private:
00033   SubmitReduction *reduction;
00034 };
00035 
00036 #endif
00037 

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