libhoomd/computes_gpu/CGCMMForceComputeGPU.h

   1 /*
   2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
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  36 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
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  41 IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT,
  42 INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
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  49
  50 // Maintainer: akohlmey
  51
  52 #include "CGCMMForceCompute.h"
  53 #include "NeighborList.h"
  54 #include "CGCMMForceGPU.cuh"
  55
  56 #include <boost/shared_ptr.hpp>
  57
  58 /*! \file CGCMMForceComputeGPU.h
  59     \brief Declares the class CGCMMForceComputeGPU
  60 */
  61
  62 #ifdef NVCC
  63 #error This header cannot be compiled by nvcc
  64 #endif
  65
  66 #ifndef __CGCMMFORCECOMPUTEGPU_H__
  67 #define __CGCMMFORCECOMPUTEGPU_H__
  68
  69 //! Computes CGCMM forces on each particle using the GPU
  70 /*! Calculates the same forces as CGCMMForceCompute, but on the GPU.
  71
  72     The GPU kernel for calculating the forces is in cgcmmforcesum_kernel.cu.
  73     \ingroup computes
  74 */
  75 class CGCMMForceComputeGPU : public CGCMMForceCompute
  76     {
  77     public:
  78         //! Constructs the compute
  79         CGCMMForceComputeGPU(boost::shared_ptr<SystemDefinition> sysdef, boost::shared_ptr<NeighborList> nlist, Scalar r_cut);
  80
  81         //! Destructor
  82         virtual ~CGCMMForceComputeGPU();
  83
  84         //! Set the parameters for a single type pair
  85         virtual void setParams(unsigned int typ1, unsigned int typ2, Scalar lj12, Scalar lj9, Scalar lj6, Scalar lj4);
  86
  87         //! Sets the block size to run at
  88         void setBlockSize(int block_size);
  89
  90     protected:
  91         GPUArray<Scalar4>  m_coeffs;     //!< Coefficients for the force
  92         int m_block_size;               //!< The block size to run on the GPU
  93
  94         //! Actually compute the forces
  95         virtual void computeForces(unsigned int timestep);
  96     };
  97
  98 //! Exports the CGCMMForceComputeGPU class to python
  99 void export_CGCMMForceComputeGPU();
 100
 101 #endif