Gromacs
2020.4
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This is the complete list of members for nonbonded_verlet_t, including all inherited members.
atomdata_add_nbat_f_to_f(gmx::AtomLocality locality, gmx::ArrayRef< gmx::RVec > force) | nonbonded_verlet_t | |
atomdata_add_nbat_f_to_f_gpu(gmx::AtomLocality locality, DeviceBuffer< float > totalForcesDevice, void *forcesPmeDevice, gmx::ArrayRef< GpuEventSynchronizer *const > dependencyList, bool useGpuFPmeReduction, bool accumulateForce) | nonbonded_verlet_t | |
atomdata_init_add_nbat_f_to_f_gpu(GpuEventSynchronizer *localReductionDone) | nonbonded_verlet_t | |
atomdata_init_copy_x_to_nbat_x_gpu() | nonbonded_verlet_t | |
changePairlistRadii(real rlistOuter, real rlistInner) | nonbonded_verlet_t | |
constructPairlist(gmx::InteractionLocality iLocality, const t_blocka *excl, int64_t step, t_nrnb *nrnb) | nonbonded_verlet_t | |
convertCoordinates(gmx::AtomLocality locality, bool fillLocal, gmx::ArrayRef< const gmx::RVec > coordinates) | nonbonded_verlet_t | |
convertCoordinatesGpu(gmx::AtomLocality locality, bool fillLocal, DeviceBuffer< float > d_x, GpuEventSynchronizer *xReadyOnDevice) | nonbonded_verlet_t | |
dispatchFreeEnergyKernel(gmx::InteractionLocality iLocality, const t_forcerec *fr, rvec x[], gmx::ForceWithShiftForces *forceWithShiftForces, const t_mdatoms &mdatoms, t_lambda *fepvals, real *lambda, gmx_enerdata_t *enerd, const gmx::StepWorkload &stepWork, t_nrnb *nrnb) | nonbonded_verlet_t | |
dispatchNonbondedKernel(gmx::InteractionLocality iLocality, const interaction_const_t &ic, const gmx::StepWorkload &stepWork, int clearF, const t_forcerec &fr, gmx_enerdata_t *enerd, t_nrnb *nrnb) | nonbonded_verlet_t | |
dispatchPruneKernelCpu(gmx::InteractionLocality iLocality, const rvec *shift_vec) | nonbonded_verlet_t | |
dispatchPruneKernelGpu(int64_t step) | nonbonded_verlet_t | |
emulateGpu() const | nonbonded_verlet_t | inline |
get_gpu_frvec() | nonbonded_verlet_t | |
getGridIndices() const | nonbonded_verlet_t | |
getLocalAtomOrder() const | nonbonded_verlet_t | |
gpu_nbv | nonbonded_verlet_t | |
haveGpuShortRangeWork(const gmx::AtomLocality aLocality) | nonbonded_verlet_t | inline |
initPairlistSets(bool haveMultipleDomains) | nonbonded_verlet_t | |
insertNonlocalGpuDependency(gmx::InteractionLocality interactionLocality) | nonbonded_verlet_t | |
isDynamicPruningStepCpu(int64_t step) const | nonbonded_verlet_t | |
isDynamicPruningStepGpu(int64_t step) const | nonbonded_verlet_t | |
kernelSetup() const | nonbonded_verlet_t | inline |
nbat | nonbonded_verlet_t | |
nonbonded_verlet_t(std::unique_ptr< PairlistSets > pairlistSets, std::unique_ptr< PairSearch > pairSearch, std::unique_ptr< nbnxn_atomdata_t > nbat, const Nbnxm::KernelSetup &kernelSetup, gmx_nbnxn_gpu_t *gpu_nbv, gmx_wallcycle *wcycle) | nonbonded_verlet_t | |
pairlistInnerRadius() const | nonbonded_verlet_t | |
pairlistIsSimple() const | nonbonded_verlet_t | inline |
pairlistOuterRadius() const | nonbonded_verlet_t | |
pairlistSets() const | nonbonded_verlet_t | inline |
pairlistSets_ | nonbonded_verlet_t | |
pairSearch_ | nonbonded_verlet_t | |
setAtomProperties(const t_mdatoms &mdatoms, gmx::ArrayRef< const int > atomInfo) | nonbonded_verlet_t | |
setLocalAtomOrder() | nonbonded_verlet_t | |
setupGpuShortRangeWork(const gmx::GpuBonded *gpuBonded, const gmx::InteractionLocality iLocality) | nonbonded_verlet_t | inline |
useGpu() const | nonbonded_verlet_t | inline |
~nonbonded_verlet_t() (defined in nonbonded_verlet_t) | nonbonded_verlet_t |