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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-03-14 18:45:25 +00:00
parent 61c0608ffa
commit ad3c57cb63
1 changed files with 1 additions and 3 deletions
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lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu
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@ -59,9 +59,7 @@ __device__ inline F_CFLOAT CoulCharmmCuda_Eval(const F_CFLOAT &rsq, F_CFLOAT &fa
const F_CFLOAT switch1 = (_cut_coulsq_global - rsq) * (_cut_coulsq_global - rsq) *
(_cut_coulsq_global + F_F(2.0) * rsq - F_F(3.0) * _cut_coul_innersq_global) * _denom_coul_inv;
ecoul_tmp *= switch1;
const F_CFLOAT switch2 = F_F(12.0) * rsq * (_cut_coulsq_global - rsq) *
(rsq - _cut_coul_innersq_global) * _denom_coul_inv;
forcecoul *= switch1 + switch2;
forcecoul *= switch1;
}
if(eflag) {