/* ----------------------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 

   Original Version:
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov 

   See the README file in the top-level LAMMPS directory. 

   ----------------------------------------------------------------------- 

   USER-CUDA Package and associated modifications:
   https://sourceforge.net/projects/lammpscuda/ 

   Christian Trott, christian.trott@tu-ilmenau.de
   Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
   Theoretical Physics II, University of Technology Ilmenau, Germany 

   See the README file in the USER-CUDA directory. 

   This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */

#include <stdio.h>

#define _lj1 MY_AP(coeff1_gm)
#define _lj2 MY_AP(coeff2_gm)
#define _lj3 MY_AP(coeff3_gm)
#define _lj4 MY_AP(coeff4_gm)

#include "pair_lj_charmm_coul_charmm_cuda_cu.h"
#include "pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu"

#include <time.h>

void Cuda_PairLJCharmmCoulCharmmCuda_Init(cuda_shared_data* sdata,F_FLOAT cut_coul_innersq,F_FLOAT denom_lj_inv,F_FLOAT denom_coul_inv)
{
	Cuda_Pair_Init_AllStyles(sdata, 4,true,true,true);
	cudaMemcpyToSymbol(MY_CONST(cut_coul_innersq_global) , &cut_coul_innersq  , sizeof(F_FLOAT)  );
	cudaMemcpyToSymbol(MY_CONST(denom_lj_inv) , &denom_lj_inv  , sizeof(F_FLOAT)  );
	cudaMemcpyToSymbol(MY_CONST(denom_coul_inv) , &denom_coul_inv  , sizeof(F_FLOAT)  );
	
	return;
}



void Cuda_PairLJCharmmCoulCharmmCuda(cuda_shared_data* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag,
			int eflag_atom,int vflag_atom,F_FLOAT denom_lj,F_FLOAT cut_coul_innersq,F_FLOAT denom_coul)
{

	static  short init=0;
	if(! init)
	{
		init = 1;
		Cuda_PairLJCharmmCoulCharmmCuda_Init(sdata,cut_coul_innersq,1.0/denom_lj,1.0/denom_coul);
	}

	dim3 grid,threads;
	int sharedperproc;
	
	Cuda_Pair_PreKernel_AllStyles(sdata, sneighlist, eflag, vflag, grid, threads, sharedperproc,true,192);

	cudaStream_t* streams = (cudaStream_t*) CudaWrapper_returnStreams();
	if(sdata->pair.use_block_per_atom)
		Pair_Kernel_BpA<PAIR_LJ_CHARMM,COUL_CHARMM,DATA_NONE>
		<<<grid, threads,sharedperproc*sizeof(ENERGY_FLOAT)*threads.x,streams[1]>>> (eflag, vflag,eflag_atom,vflag_atom);
	else
		Pair_Kernel_TpA<PAIR_LJ_CHARMM,COUL_CHARMM,DATA_NONE>
		<<<grid, threads,sharedperproc*sizeof(ENERGY_FLOAT)*threads.x,streams[1]>>> (eflag, vflag,eflag_atom,vflag_atom);

	Cuda_Pair_PostKernel_AllStyles(sdata, grid, sharedperproc, eflag, vflag);
}

#undef _lj1
#undef _lj2
#undef _lj3
#undef _lj4
