/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
return gmx::constArrayRefFromArray(pairSearch_->gridSet().atomIndices().data(), numIndices);
}
-void nonbonded_verlet_t::setLocalAtomOrder()
+void nonbonded_verlet_t::setLocalAtomOrder() const
{
pairSearch_->setLocalAtomOrder();
}
void nonbonded_verlet_t::setAtomProperties(gmx::ArrayRef<const int> atomTypes,
gmx::ArrayRef<const real> atomCharges,
- gmx::ArrayRef<const int> atomInfo)
+ gmx::ArrayRef<const int> atomInfo) const
{
nbnxn_atomdata_set(nbat.get(), pairSearch_->gridSet(), atomTypes, atomCharges, atomInfo);
}
wallcycle_stop(wcycle_, ewcNB_XF_BUF_OPS);
}
-int nonbonded_verlet_t::getNumAtoms(const gmx::AtomLocality locality)
+int nonbonded_verlet_t::getNumAtoms(const gmx::AtomLocality locality) const
{
int numAtoms = 0;
switch (locality)
return numAtoms;
}
-void* nonbonded_verlet_t::getGpuForces()
+void* nonbonded_verlet_t::getGpuForces() const
{
return Nbnxm::getGpuForces(gpu_nbv);
}
return pairlistSets_->params().rlistOuter;
}
-void nonbonded_verlet_t::changePairlistRadii(real rlistOuter, real rlistInner)
+void nonbonded_verlet_t::changePairlistRadii(real rlistOuter, real rlistInner) const
{
pairlistSets_->changePairlistRadii(rlistOuter, rlistInner);
}
void nonbonded_verlet_t::setupGpuShortRangeWork(const gmx::GpuBonded* gpuBonded,
- const gmx::InteractionLocality iLocality)
+ const gmx::InteractionLocality iLocality) const
{
if (useGpu() && !emulateGpu())
{
}
}
-void nonbonded_verlet_t::atomdata_init_copy_x_to_nbat_x_gpu()
+void nonbonded_verlet_t::atomdata_init_copy_x_to_nbat_x_gpu() const
{
Nbnxm::nbnxn_gpu_init_x_to_nbat_x(pairSearch_->gridSet(), gpu_nbv);
}
-void nonbonded_verlet_t::insertNonlocalGpuDependency(const gmx::InteractionLocality interactionLocality)
+void nonbonded_verlet_t::insertNonlocalGpuDependency(const gmx::InteractionLocality interactionLocality) const
{
Nbnxm::nbnxnInsertNonlocalGpuDependency(gpu_nbv, interactionLocality);
}