ComputeGridForce.h

Go to the documentation of this file.
00001 
00007 #ifndef COMPUTEGRIDFORCE_H
00008 #define COMPUTEGRIDFORCE_H
00009 
00010 #include "ComputeHomePatch.h"
00011 #include "ReductionMgr.h"
00012 #include "GridForceGrid.h"
00013 #include "SimParameters.h"
00014 #include "HomePatch.h"
00015 #include "Molecule.h"
00016 
00017 class ComputeGridForce : public ComputeHomePatch
00018 {
00019 protected:
00020     template <class T> void do_calc(T *grid, int gridnum, FullAtom *p, int numAtoms, Molecule *mol, Force *forces, BigReal &energy, Force &extForce, Tensor &extVirial);
00021 
00022 public:
00023     ComputeGridForce(ComputeID c, PatchID pid);         //  Constructor
00024     virtual ~ComputeGridForce();                        //  Destructor
00025     
00026     void doForce(FullAtom* p, Results* r);
00027     
00028     SubmitReduction *reduction;
00029 };
00030 
00031 #endif

Generated on Sat Nov 18 01:17:12 2017 for NAMD by  doxygen 1.4.7