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Gromacs
2023.4
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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_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, 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, std::unique_ptr< ExclusionChecker > exclusionChecker, NbnxmGpu *gpu_nbv, gmx_wallcycle *wcycle) | 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) | 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 |
1.8.5