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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7903 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-03-05 15:28:58 +00:00
parent 5fe50fbf26
commit 377cd52b2e
4 changed files with 29 additions and 29 deletions
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19
lib/cuda/pair_sw_cuda_kernel_nc.cu
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@ -389,7 +389,6 @@ __global__ void Pair_SW_Kernel_TpA_RIJ()//F_FLOAT4* _glob_r_ij,int* _glob_numnei
}
}
}
__syncthreads();
}
__syncthreads();
@ -429,19 +428,21 @@ __global__ void Pair_SW_Kernel_TpA_RIJ()//F_FLOAT4* _glob_r_ij,int* _glob_numnei
}
if(eflag_atom && i<_nlocal)
{
_eatom[i] += evdwl;
_eatom[i] = ENERGY_F(0.5) * evdwl;
}
if(vflag_atom && i<_nlocal)
{
_vatom[i] += ENERGY_F(0.5) * sharedV[0 * blockDim.x];
_vatom[i+_nmax] += ENERGY_F(0.5) * sharedV[1 * blockDim.x];
_vatom[i+2*_nmax] += ENERGY_F(0.5) * sharedV[2 * blockDim.x];
_vatom[i+3*_nmax] += ENERGY_F(0.5) * sharedV[3 * blockDim.x];
_vatom[i+4*_nmax] += ENERGY_F(0.5) * sharedV[4 * blockDim.x];
_vatom[i+5*_nmax] += ENERGY_F(0.5) * sharedV[5 * blockDim.x];
_vatom[i] = ENERGY_F(0.5) * sharedV[0 * blockDim.x];
_vatom[i+_nmax] = ENERGY_F(0.5) * sharedV[1 * blockDim.x];
_vatom[i+2*_nmax] = ENERGY_F(0.5) * sharedV[2 * blockDim.x];
_vatom[i+3*_nmax] = ENERGY_F(0.5) * sharedV[3 * blockDim.x];
_vatom[i+4*_nmax] = ENERGY_F(0.5) * sharedV[4 * blockDim.x];
_vatom[i+5*_nmax] = ENERGY_F(0.5) * sharedV[5 * blockDim.x];
}
if(vflagm||eflag) PairVirialCompute_A_Kernel_Template<1,1>();
if(vflagm&&eflag) PairVirialCompute_A_Kernel_Template<1,1>();
else if(eflag) PairVirialCompute_A_Kernel_Template<1,0>();
else if(vflagm) PairVirialCompute_A_Kernel_Template<0,1>();
#undef fxtmp
#undef fytmp
#undef fztmp