atomInfo, system.coordinates,
0, nullptr);
- nbv->constructPairlist(Nbnxm::InteractionLocality::Local,
+ nbv->constructPairlist(gmx::InteractionLocality::Local,
&system.excls, 0, &nrnb);
t_mdatoms mdatoms;
// Run pre-iteration to avoid cache misses
for (int iter = 0; iter < options.numPreIterations; iter++)
{
- nbv->dispatchNonbondedKernel(InteractionLocality::Local,
+ nbv->dispatchNonbondedKernel(gmx::InteractionLocality::Local,
ic, stepWork, enbvClearFYes, system.forceRec,
&enerd,
&nrnb);
}
const int numIterations = (doWarmup ? options.numWarmupIterations : options.numIterations);
- const PairlistSet &pairlistSet = nbv->pairlistSets().pairlistSet(InteractionLocality::Local);
+ const PairlistSet &pairlistSet = nbv->pairlistSets().pairlistSet(gmx::InteractionLocality::Local);
const gmx::index numPairs = pairlistSet.natpair_ljq_ + pairlistSet.natpair_lj_ + pairlistSet.natpair_q_;
gmx_cycles_t cycles = gmx_cycles_read();
for (int iter = 0; iter < numIterations; iter++)
{
// Run the kernel without force clearing
- nbv->dispatchNonbondedKernel(InteractionLocality::Local,
+ nbv->dispatchNonbondedKernel(gmx::InteractionLocality::Local,
ic, stepWork, enbvClearFNo, system.forceRec,
&enerd,
&nrnb);