libhoomd/computes_gpu/HarmonicDihedralForceComputeGPU.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,
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  49
  50 // Maintainer: dnlebard
  51
  52 #ifdef WIN32
  53 #pragma warning( push )
  54 #pragma warning( disable : 4103 )
  55 #endif
  56
  57 #include "HarmonicDihedralForceCompute.h"
  58 #include "HarmonicDihedralForceGPU.cuh"
  59 #include "Autotuner.h"
  60
  61 #include <boost/shared_ptr.hpp>
  62 #include <boost/signals2.hpp>
  63
  64 /*! \file HarmonicDihedralForceComputeGPU.h
  65     \brief Declares the HarmonicDihedralForceGPU class
  66 */
  67
  68 #ifndef __HARMONICDIHEDRALFORCECOMPUTEGPU_H__
  69 #define __HARMONICDIHEDRALFORCECOMPUTEGPU_H__
  70
  71 //! Implements the harmonic dihedral force calculation on the GPU
  72 /*! HarmonicDihedralForceComputeGPU implements the same calculations as HarmonicDihedralForceCompute,
  73     but executing on the GPU.
  74
  75     Per-type parameters are stored in a simple global memory area pointed to by
  76     \a m_gpu_params. They are stored as Scalar2's with the \a x component being K and the
  77     \a y component being t_0.
  78
  79     The GPU kernel can be found in dihedralforce_kernel.cu.
  80
  81     \ingroup computes
  82 */
  83 class HarmonicDihedralForceComputeGPU : public HarmonicDihedralForceCompute
  84     {
  85     public:
  86         //! Constructs the compute
  87         HarmonicDihedralForceComputeGPU(boost::shared_ptr<SystemDefinition> system);
  88         //! Destructor
  89         ~HarmonicDihedralForceComputeGPU();
  90
  91         //! Set autotuner parameters
  92         /*! \param enable Enable/disable autotuning
  93             \param period period (approximate) in time steps when returning occurs
  94         */
  95         virtual void setAutotunerParams(bool enable, unsigned int period)
  96             {
  97             HarmonicDihedralForceCompute::setAutotunerParams(enable, period);
  98             m_tuner->setPeriod(period);
  99             m_tuner->setEnabled(enable);
 100             }
 101
 102         //! Set the parameters
 103         virtual void setParams(unsigned int type, Scalar K, int sign, unsigned int multiplicity);
 104
 105     protected:
 106         boost::scoped_ptr<Autotuner> m_tuner; //!< Autotuner for block size
 107         GPUArray<Scalar4> m_params;           //!< Parameters stored on the GPU (k,sign,m)
 108
 109         //! Actually compute the forces
 110         virtual void computeForces(unsigned int timestep);
 111     };
 112
 113 //! Export the DihedralForceComputeGPU class to python
 114 void export_HarmonicDihedralForceComputeGPU();
 115
 116 #endif
 117
 118 #ifdef WIN32
 119 #pragma warning( pop )
 120 #endif