Gromacs
2024.4
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#include "gromacs/listed_forces/listed_forces_gpu.h"
#include "gromacs/mdtypes/locality.h"
#include "gromacs/nbnxm/gpu_types_common.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/range.h"
Implements common util routines for different NBNXN GPU implementations.
Functions | |
static bool | Nbnxm::canSkipNonbondedWork (const NbnxmGpu &nb, InteractionLocality iloc) |
An early return condition for empty NB GPU workloads. More... | |
static gmx::Range< int > | Nbnxm::getGpuAtomRange (const NBAtomDataGpu *atomData, const AtomLocality atomLocality) |
Calculate atom range and return start index and length. More... | |