lammps/lib/gpu/lal_coul_long_cs.h

/***************************************************************************
                               coul_long_cs.h
                             -------------------
                           Trung Nguyen (Northwestern)

  Class for acceleration of the coul/long/cs pair style.

 __________________________________________________________________________
    This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
 __________________________________________________________________________

    begin                : June 2018
    email                : ndactrung@gmail.com
 ***************************************************************************/

#ifndef LAL_COUL_LONG_CS_H
#define LAL_COUL_LONG_CS_H

#include "lal_coul_long.h"

namespace LAMMPS_AL {

template <class numtyp, class acctyp>
class CoulLongCS : public CoulLong<numtyp, acctyp> {
 public:
  CoulLongCS() {}
  ~CoulLongCS() {}

  /// 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, double **scale,
           const int nlocal, const int nall, const int max_nbors,
           const int maxspecial, const double cell_size,
           const double gpu_split, FILE *screen,
           const double host_cut_coulsq, double *host_special_coul,
           const double qqrd2e, const double g_ewald);
};

}

#endif