libhoomd/computes_gpu/HarmonicImproperForceComputeGPU.h

   1 /*
   2 Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
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   4 the University of Michigan All rights reserved.
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  36 THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDER AND CONTRIBUTORS ``AS IS'' AND
  37 ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
  38 WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND/OR ANY
  39 WARRANTIES THAT THIS SOFTWARE IS FREE OF INFRINGEMENT ARE DISCLAIMED.
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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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  44 DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
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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 "HarmonicImproperForceCompute.h"
  58 #include "HarmonicImproperForceGPU.cuh"
  59 #include "Autotuner.h"
  60
  61 #include <boost/shared_ptr.hpp>
  62 #include <boost/signals2.hpp>
  63
  64 /*! \file HarmonicImproperForceComputeGPU.h
  65     \brief Declares the HarmonicImproperForceGPU class
  66 */
  67
  68 #ifdef NVCC
  69 #error This header cannot be compiled by nvcc
  70 #endif
  71
  72 #ifndef __HARMONICIMPROPERFORCECOMPUTEGPU_H__
  73 #define __HARMONICIMPROPERFORCECOMPUTEGPU_H__
  74
  75 //! Implements the harmonic improper force calculation on the GPU
  76 /*! HarmonicImproperForceComputeGPU implements the same calculations as HarmonicImproperForceCompute,
  77     but executing on the GPU.
  78
  79     Per-type parameters are stored in a simple global memory area pointed to by
  80     \a m_gpu_params. They are stored as Scalar2's with the \a x component being K and the
  81     \a y component being t_0.
  82
  83     The GPU kernel can be found in improperforce_kernel.cu.
  84
  85     \ingroup computes
  86 */
  87 class HarmonicImproperForceComputeGPU : public HarmonicImproperForceCompute
  88     {
  89     public:
  90         //! Constructs the compute
  91         HarmonicImproperForceComputeGPU(boost::shared_ptr<SystemDefinition> sysdef);
  92         //! Destructor
  93         ~HarmonicImproperForceComputeGPU();
  94
  95         //! Set autotuner parameters
  96         /*! \param enable Enable/disable autotuning
  97             \param period period (approximate) in time steps when returning occurs
  98         */
  99         virtual void setAutotunerParams(bool enable, unsigned int period)
 100             {
 101             HarmonicImproperForceCompute::setAutotunerParams(enable, period);
 102             m_tuner->setPeriod(period);
 103             m_tuner->setEnabled(enable);
 104             }
 105
 106         //! Set the parameters
 107         virtual void setParams(unsigned int type, Scalar K, Scalar chi);
 108
 109     protected:
 110         boost::scoped_ptr<Autotuner> m_tuner; //!< Autotuner for block size
 111         GPUArray<Scalar2>  m_params;          //!< Parameters stored on the GPU (k,chi)
 112
 113         //! Actually compute the forces
 114         virtual void computeForces(unsigned int timestep);
 115     };
 116
 117 //! Export the ImproperForceComputeGPU class to python
 118 void export_HarmonicImproperForceComputeGPU();
 119
 120 #endif
 121
 122 #ifdef WIN32
 123 #pragma warning( pop )
 124 #endif