Gromacs
2022-beta1
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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_init_copy_x_to_nbat_x_gpu() const | nonbonded_verlet_t | |
changePairlistRadii(real rlistOuter, real rlistInner) const | nonbonded_verlet_t | |
constructPairlist(gmx::InteractionLocality iLocality, const gmx::ListOfLists< int > &exclusions, int64_t step, t_nrnb *nrnb) const | nonbonded_verlet_t | |
convertCoordinates(gmx::AtomLocality locality, gmx::ArrayRef< const gmx::RVec > coordinates) | nonbonded_verlet_t | |
convertCoordinatesGpu(gmx::AtomLocality locality, DeviceBuffer< gmx::RVec > d_x, GpuEventSynchronizer *xReadyOnDevice) | nonbonded_verlet_t | |
dispatchFreeEnergyKernels(const gmx::ArrayRefWithPadding< const gmx::RVec > &coords, gmx::ForceWithShiftForces *forceWithShiftForces, bool useSimd, int ntype, real rlist, const interaction_const_t &ic, gmx::ArrayRef< const gmx::RVec > shiftvec, gmx::ArrayRef< const real > nbfp, gmx::ArrayRef< const real > nbfp_grid, gmx::ArrayRef< const real > chargeA, gmx::ArrayRef< const real > chargeB, gmx::ArrayRef< const int > typeA, gmx::ArrayRef< const int > typeB, t_lambda *fepvals, gmx::ArrayRef< const 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, gmx::ArrayRef< const gmx::RVec > shiftvec, gmx::ArrayRef< real > repulsionDispersionSR, gmx::ArrayRef< real > CoulombSR, t_nrnb *nrnb) const | nonbonded_verlet_t | |
dispatchPruneKernelCpu(gmx::InteractionLocality iLocality, gmx::ArrayRef< const gmx::RVec > shift_vec) const | nonbonded_verlet_t | |
dispatchPruneKernelGpu(int64_t step) | nonbonded_verlet_t | |
emulateGpu() const | nonbonded_verlet_t | inline |
getGridIndices() const | nonbonded_verlet_t | |
getLocalAtomOrder() const | nonbonded_verlet_t | |
getNumAtoms(gmx::AtomLocality locality) const | nonbonded_verlet_t | |
gpu_nbv | 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, NbnxmGpu *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(gmx::ArrayRef< const int > atomTypes, gmx::ArrayRef< const real > atomCharges, gmx::ArrayRef< const int64_t > atomInfo) const | nonbonded_verlet_t | |
setLocalAtomOrder() const | nonbonded_verlet_t | |
setupFepThreadedForceBuffer(int numAtomsForce) (defined in nonbonded_verlet_t) | nonbonded_verlet_t | |
setupGpuShortRangeWork(const gmx::ListedForcesGpu *listedForcesGpu, gmx::InteractionLocality iLocality) const | nonbonded_verlet_t | |
useGpu() const | nonbonded_verlet_t | inline |
~nonbonded_verlet_t() (defined in nonbonded_verlet_t) | nonbonded_verlet_t |