diff --git a/lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu b/lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu index d741e7ac9d..cc1963bfc8 100644 --- a/lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu +++ b/lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu @@ -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) {