// ToDo: We need further refinement here as communicateHaloData includes launch time for cudamemcpyasync
wallcycle_start(wcycle_, WallCycleCounter::MoveF);
- while (dependencyEvents->size() > 0)
+ while (!dependencyEvents->empty())
{
- auto dependency = dependencyEvents->back();
+ auto* dependency = dependencyEvents->back();
dependency->enqueueWaitEvent(*haloStream_);
dependencyEvents->pop_back();
}
}
sigma_pow[i] = sigma6[i];
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if constexpr (softcoreType == KernelSoftcoreType::Gapsys)
{
if ((c6[i] > 0) && (c12[i] > 0))
}
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if constexpr (softcoreType == KernelSoftcoreType::Beutler)
{
/* only use softcore if one of the states has a zero endstate - softcore is for avoiding infinities!*/
alpha_coul_eff = scParams.alphaCoulomb;
}
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if constexpr (softcoreType == KernelSoftcoreType::Gapsys)
{
/* only use softcore if one of the states has a zero endstate - softcore is for avoiding infinities!*/
}
/* Loop over A and B states again */
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
for (i = 0; i < 2; i++)
{
fscal_elec[i] = 0;
r_coul = r;
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if constexpr (softcoreType == KernelSoftcoreType::Gapsys)
{
if ((facel != 0) && (LFC[i] < 1))
}
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if ((softcoreType == KernelSoftcoreType::Gapsys) && (r < rQ))
{
real rInvQ = one / rQ;
}
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
if ((softcoreType == KernelSoftcoreType::Gapsys) && (r < rLJ))
{
// scaled values for c6 and c12
dvdl_coul_sum += dvdl_elec[i];
dvdl_vdw_sum += dvdl_vdw[i];
}
+ // NOLINTNEXTLINE(readability-misleading-indentation) remove when clang-tidy-13 is required
dvdl_coul_sum += velec[i] * DLF[i];
dvdl_vdw_sum += vvdw[i] * DLF[i];
if constexpr (softcoreType == KernelSoftcoreType::Beutler)