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/***************************************************************************
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 successful
* - -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
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