/* ----------------------------------------------------------------------
   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.
------------------------------------------------------------------------- */

extern __shared__ X_FLOAT sharedmem[];

#define BIG 1e10
__global__ void Domain_PBC_Kernel(int deform_remap,int deform_groupbit,int box_change)
{
  int idim,otherdims;
  int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;

  X_FLOAT lo[3];
  X_FLOAT hi[3];
  X_FLOAT* period;

  if (_triclinic == 0) {
    lo[0] = _boxlo[0];
    lo[1] = _boxlo[1];
    lo[2] = _boxlo[2];
    
    hi[0] = _boxhi[0];
    hi[1] = _boxhi[1];
    hi[2] = _boxhi[2];
    period = _prd;
  } else {
    lo[0] = _boxlo_lamda[0];
    lo[1] = _boxlo_lamda[1];
    lo[2] = _boxlo_lamda[2];
    
    hi[0] = _boxhi_lamda[0];
    hi[1] = _boxhi_lamda[1];
    hi[2] = _boxhi_lamda[2];
    period = _prd_lamda;
  }

  
  X_FLOAT tmpx=X_F(0.5)*(hi[0]+lo[0]);
  X_FLOAT tmpy=X_F(0.5)*(hi[1]+lo[1]);
  X_FLOAT tmpz=X_F(0.5)*(hi[2]+lo[2]);
  
  X_FLOAT* buf=(X_FLOAT*) _buffer;
  buf+=blockIdx.x*gridDim.y+blockIdx.y;
  buf[0]=tmpx;
  buf+=gridDim.x*gridDim.y;
  buf[0]=tmpx;
  buf+=gridDim.x*gridDim.y;
  buf[0]=tmpy;
  buf+=gridDim.x*gridDim.y;
  buf[0]=tmpy;
  buf+=gridDim.x*gridDim.y;
  buf[0]=tmpz;
  buf+=gridDim.x*gridDim.y;
  buf[0]=tmpz;

  if(i<_nlocal)
  {

    if (_periodicity[0]) {
      if (_x[i] < lo[0]) {
	_x[i] += period[0];
	if (deform_remap && _mask[i] & deform_groupbit) _v[i] += _h_rate[0];
	idim = _image[i] & 1023;
        otherdims = _image[i] ^ idim;
	idim--;
	idim &= 1023;
	_image[i] = otherdims | idim;
      }
      if (_x[i] >= hi[0]) {
	_x[i] -= period[0];
	_x[i] = MAX(_x[i],lo[0]);
	if (deform_remap && _mask[i] & deform_groupbit) _v[i] -= _h_rate[0];
	idim = _image[i] & 1023;
	otherdims = _image[i] ^ idim;
	idim++;
	idim &= 1023;
	_image[i] = otherdims | idim;
      }
    }

    if (_periodicity[1]) {
      if (_x[i+_nmax] < lo[1]) {
	_x[i+_nmax] += period[1];
	if (deform_remap && _mask[i] & deform_groupbit) {
	  _v[i] += _h_rate[5];
	  _v[i+_nmax] += _h_rate[1];
	}
	idim = (_image[i] >> 10) & 1023;
        otherdims = _image[i] ^ (idim << 10);
	idim--;
	idim &= 1023;
	_image[i] = otherdims | (idim << 10);
      }
      if (_x[i+_nmax] >= hi[1]) {
	_x[i+_nmax] -= period[1];
	_x[i+_nmax] = MAX(_x[i+_nmax],lo[1]);
	if (deform_remap && _mask[i] & deform_groupbit) {
	  _v[i] -= _h_rate[5];
	  _v[i+_nmax] -= _h_rate[1];
	}
	idim = (_image[i] >> 10) & 1023;
        otherdims = _image[i] ^ (idim << 10);
	idim++;
	idim &= 1023;
	_image[i] = otherdims | (idim << 10);
      }
    }

    if (_periodicity[2]) {
      if (_x[i+2*_nmax] < lo[2]) {
	_x[i+2*_nmax] += period[2];
	if (deform_remap && _mask[i] & deform_groupbit) {
	  _v[i] += _h_rate[4];
	  _v[i+_nmax] += _h_rate[3];
	  _v[i+2*_nmax] += _h_rate[2];
	}
	idim = _image[i] >> 20;
        otherdims = _image[i] ^ (idim << 20);
	idim--;
	idim &= 1023;
	_image[i] = otherdims | (idim << 20);
      }
      if (_x[i+2*_nmax] >= hi[2]) {
	_x[i+2*_nmax] -= period[2];
	_x[i+2*_nmax] = MAX(_x[i+2*_nmax],lo[2]);
	if (deform_remap && _mask[i] & deform_groupbit) {
	  _v[i] -= _h_rate[4];
	  _v[i+_nmax] -= _h_rate[3];
	  _v[i+2*_nmax] -= _h_rate[2];
	}
	idim = _image[i] >> 20;
        otherdims = _image[i] ^ (idim << 20);
	idim++;
	idim &= 1023;
	_image[i] = otherdims | (idim << 20);
      }
    }
    if(box_change)
    {
    	tmpx=_x[i];
    	tmpy=_x[i+_nmax];
    	tmpz=_x[i+2*_nmax];
    	
    	
    }
  }
  __syncthreads();
  if(box_change)
  {
  	X_FLOAT minx=BIG;
  	X_FLOAT maxx=-BIG;
  	X_FLOAT miny=BIG;
  	X_FLOAT maxy=-BIG;
  	X_FLOAT minz=BIG;
  	X_FLOAT maxz=-BIG;
  
  if (not _periodicity[0]) {	
  	sharedmem[threadIdx.x]=tmpx;
  	minOfBlock(sharedmem);
  	minx=sharedmem[0];
  	__syncthreads();
  	sharedmem[threadIdx.x]=tmpx;
  	maxOfBlock(sharedmem);
  	maxx=sharedmem[0];
  	__syncthreads();
  }
  else {minx=lo[0];maxx=hi[0];}
  if (not _periodicity[1]) {
  	sharedmem[threadIdx.x]=tmpy;
  	minOfBlock(sharedmem);
  	miny=sharedmem[0];
  	__syncthreads();
  	sharedmem[threadIdx.x]=tmpy;
  	maxOfBlock(sharedmem);
  	maxy=sharedmem[0];
  	__syncthreads();
  }
  else {minx=lo[1];maxx=hi[1];}
  if (not _periodicity[2]) {	
  	sharedmem[threadIdx.x]=tmpz;
  	minOfBlock(sharedmem);
  	minz=sharedmem[0];
  	__syncthreads();
  	sharedmem[threadIdx.x]=tmpz;
  	maxOfBlock(sharedmem);
  	maxz=sharedmem[0];
  	__syncthreads();
  }
  else {minz=lo[2];maxz=hi[2];}
  	if(threadIdx.x==0)
  	{
  	  buf=(X_FLOAT*) _buffer;
  	  buf+=blockIdx.x*gridDim.y+blockIdx.y;
  	  buf[0]=minx;
  	  buf+=gridDim.x*gridDim.y;
  	  buf[0]=maxx;
  	  buf+=gridDim.x*gridDim.y;
  	  buf[0]=miny;
  	  buf+=gridDim.x*gridDim.y;
  	  buf[0]=maxy;
  	  buf+=gridDim.x*gridDim.y;
  	  buf[0]=minz;
  	  buf+=gridDim.x*gridDim.y;
  	  buf[0]=maxz;
  	}
  }  
}

__global__ void Domain_reduceBoxExtent(double* extent,int n)
{
  X_FLOAT* buf=(X_FLOAT*) _buffer; 
  buf+=blockIdx.x*n;
  copyGlobToShared(buf,sharedmem,n);
  if(blockIdx.x%2==0)
  minOfData(sharedmem,n); 
  else 
  maxOfData(sharedmem,n);
  extent[blockIdx.x]=sharedmem[0];
}

__global__ void Domain_lamda2x_Kernel(int n)
{
  int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;
  if(i<n)
  { 
    X_FLOAT ytmp = _x[i+_nmax];
    X_FLOAT ztmp = _x[i+2*_nmax];
    _x[i] = _h[0]*_x[i] + _h[5]*ytmp + _h[4]*ztmp + _boxlo[0];
    _x[i+_nmax] = _h[1]*ytmp + _h[3]*ztmp + _boxlo[1];
    _x[i+2*_nmax] = _h[2]*ztmp + _boxlo[2];
  }
}

__global__ void Domain_x2lamda_Kernel(int n)
{
  int i=(blockIdx.x*gridDim.y+blockIdx.y)*blockDim.x+threadIdx.x;

  X_FLOAT delta[3];

  if(i<n)
  { 
    delta[0] = _x[i] - _boxlo[0];
    delta[1] = _x[i+_nmax] - _boxlo[1];
    delta[2] = _x[i+2*_nmax] - _boxlo[2];

    _x[i] = _h_inv[0]*delta[0] + _h_inv[5]*delta[1] + _h_inv[4]*delta[2];
    _x[i+_nmax] = _h_inv[1]*delta[1] + _h_inv[3]*delta[2];
    _x[i+2*_nmax] = _h_inv[2]*delta[2];
  }
}
