text: /***************************************************************************
                                      sw.h
                               -------------------
                              W. Michael Brown (ORNL)
  
    Class for acceleration of the sw pair style.
  
   __________________________________________________________________________
      This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
   __________________________________________________________________________
  
      begin                : Tue March 26, 2013
      email                : brownw@ornl.gov
   ***************************************************************************/
  
  #ifndef LAL_SW_H
  #define LAL_SW_H
  
  #include "lal_base_three.h"
  
  namespace LAMMPS_AL {
  
  template <class numtyp, class acctyp>
  class SW : public BaseThree<numtyp, acctyp> {
   public:
    SW();
    ~SW();
  
    /// Clear any previous data and set up for a new LAMMPS run
    /** \param max_nbors initial number of rows in the neighbor matrix
      * \param cell_size cutoff + skin
      * \param gpu_split fraction of particles handled by device
      *
      * Returns:
      * -  0 if successfull
      * - -1 if fix gpu not found
      * - -3 if there is an out of memory error
      * - -4 if the GPU library was not compiled for GPU
      * - -5 Double precision is not supported on card **/
    int init(const int ntypes, const int nlocal, const int nall, const int max_nbors,
             const double cell_size, const double gpu_split, FILE *screen,
             int* host_map, const int nelements, int*** host_elem2param, const int nparams,
             const double* epsilon, const double* sigma,
             const double* lambda, const double* gamma,
             const double* costheta, const double* biga,
             const double* bigb, const double* powerp,
             const double* powerq, const double* cut, const double* cutsq);
  
    /// Clear all host and device data
    /** \note This is called at the beginning of the init() routine **/
    void clear();
  
    /// Returns memory usage on device per atom
    int bytes_per_atom(const int max_nbors) const;
  
    /// Total host memory used by library for pair style
    double host_memory_usage() const;
  
    // --------------------------- TYPE DATA --------------------------
  
    /// If atom type constants fit in shared memory, use fast kernels
    bool shared_types;
  
    /// Number of atom types
    int _lj_types;
  
    /// sw1.x = epsilon, sw1.y = sigma, sw1.z = lambda, sw1.w = gamma
    UCL_D_Vec<numtyp4> sw1;
    /// sw2.x = biga, sw2.y = bigb, sw2.z = powerp, sw2.w = powerq
    UCL_D_Vec<numtyp4> sw2;
    /// sw3.x = cut, sw3.y = cutsq, sw3.z = costheta
    UCL_D_Vec<numtyp4> sw3;
  
    UCL_D_Vec<int> elem2param;
    UCL_D_Vec<int> map;
    int _nparams,_nelements;
  
    UCL_Texture sw1_tex, sw2_tex, sw3_tex;
  
   private:
    bool _allocated;
    void loop(const bool _eflag, const bool _vflag, const int evatom);
  
  };
  
  }
  
  #endif
  
  