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Give the compiler some help

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This commit is contained in:
Stan Gerald Moore
2022-02-18 09:57:51 -07:00
parent b9f5bb60e9
commit 43f5de4dbf
1 changed files with 7 additions and 4 deletions
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11
src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
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@ -925,16 +925,19 @@ void FixQEqReaxFFKokkos<DeviceType>::operator() (TagQEqSparseMatvec2_Half<NEIGHF
const int i = d_ilist[ii];
if (mask[i] & groupbit) {
F_FLOAT2 tmp;
const auto d_xx_i0 = d_xx(i,0);
const auto d_xx_i1 = d_xx(i,1);
for (int jj = d_firstnbr[i]; jj < d_firstnbr[i] + d_numnbrs[i]; jj++) {
const int j = d_jlist(jj);
const auto d_val_jj = d_val(jj);
if (!(converged & 1)) {
tmp.v[0] += d_val(jj) * d_xx(j,0);
a_o(j,0) += d_val(jj) * d_xx(i,0);
tmp.v[0] += d_val_jj * d_xx(j,0);
a_o(j,0) += d_val_jj * d_xx_i0;
}
if (!(converged & 2)) {
tmp.v[1] += d_val(jj) * d_xx(j,1);
a_o(j,1) += d_val(jj) * d_xx(i,1);
tmp.v[1] += d_val_jj * d_xx(j,1);
a_o(j,1) += d_val_jj * d_xx_i1;
}
}
if (!(converged & 1))