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Gromacs
2025.3
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This is the complete list of members for gmx::nonbonded_verlet_t, including all inherited members.
| atomdata_add_nbat_f_to_f(AtomLocality locality, ArrayRef< RVec > force) | gmx::nonbonded_verlet_t | |
| atomdata_init_copy_x_to_nbat_x_gpu() const | gmx::nonbonded_verlet_t | |
| changePairlistRadii(real rlistOuter, real rlistInner) const | gmx::nonbonded_verlet_t | |
| constructPairlist(InteractionLocality iLocality, const ListOfLists< int > &exclusions, int64_t step, t_nrnb *nrnb) const | gmx::nonbonded_verlet_t | |
| convertCoordinates(AtomLocality locality, ArrayRef< const RVec > coordinates) | gmx::nonbonded_verlet_t | |
| convertCoordinatesGpu(AtomLocality locality, DeviceBuffer< RVec > d_x, GpuEventSynchronizer *xReadyOnDevice) | gmx::nonbonded_verlet_t | |
| dispatchFreeEnergyKernels(const ArrayRefWithPadding< const RVec > &coords, ForceWithShiftForces *forceWithShiftForces, bool useSimd, int ntype, const interaction_const_t &ic, ArrayRef< const RVec > shiftvec, ArrayRef< const real > nbfp, ArrayRef< const real > nbfp_grid, ArrayRef< const real > chargeA, ArrayRef< const real > chargeB, ArrayRef< const int > typeA, ArrayRef< const int > typeB, ArrayRef< const real > lambda, gmx_enerdata_t *enerd, const StepWorkload &stepWork, t_nrnb *nrnb) | gmx::nonbonded_verlet_t | |
| dispatchNonbondedKernel(InteractionLocality iLocality, const interaction_const_t &ic, const StepWorkload &stepWork, int clearF, ArrayRef< const RVec > shiftvec, ArrayRef< real > repulsionDispersionSR, ArrayRef< real > CoulombSR, t_nrnb *nrnb) const | gmx::nonbonded_verlet_t | |
| dispatchPruneKernelCpu(InteractionLocality iLocality, ArrayRef< const RVec > shift_vec) const | gmx::nonbonded_verlet_t | |
| dispatchPruneKernelGpu(int64_t step) | gmx::nonbonded_verlet_t | |
| emulateGpu() const | gmx::nonbonded_verlet_t | inline |
| getGridIndices() const | gmx::nonbonded_verlet_t | |
| getLocalAtomOrder() const | gmx::nonbonded_verlet_t | |
| getLocalGridNumAtomsPerColumn() const | gmx::nonbonded_verlet_t | |
| getNumAtoms(AtomLocality locality) const | gmx::nonbonded_verlet_t | |
| gpuNbv() const | gmx::nonbonded_verlet_t | inline |
| gpuNbv() | gmx::nonbonded_verlet_t | inline |
| isDynamicPruningStepCpu(int64_t step) const | gmx::nonbonded_verlet_t | |
| isDynamicPruningStepGpu(int64_t step) const | gmx::nonbonded_verlet_t | |
| isValidLocalAtom(const int localAtomIndex) | gmx::nonbonded_verlet_t | inlinestatic |
| kernelSetup() const | gmx::nonbonded_verlet_t | inline |
| localAtomOrderMatchesNbnxmOrder() const | gmx::nonbonded_verlet_t | |
| localGrid() const (defined in gmx::nonbonded_verlet_t) | gmx::nonbonded_verlet_t | |
| nbat() | gmx::nonbonded_verlet_t | inline |
| nonbonded_verlet_t(std::unique_ptr< PairlistSets > pairlistSets, std::unique_ptr< PairSearch > pairSearch, std::unique_ptr< nbnxn_atomdata_t > nbat, const NbnxmKernelSetup &kernelSetup, std::unique_ptr< ExclusionChecker > exclusionChecker, NbnxmGpu *gpu_nbv, gmx_wallcycle *wcycle) | gmx::nonbonded_verlet_t | |
| nonbonded_verlet_t(std::unique_ptr< PairlistSets > pairlistSets, std::unique_ptr< PairSearch > pairSearch, std::unique_ptr< nbnxn_atomdata_t > nbat, const NbnxmKernelSetup &kernelSetup, NbnxmGpu *gpu_nbv) | gmx::nonbonded_verlet_t | |
| pairlistInnerRadius() const | gmx::nonbonded_verlet_t | |
| pairlistIsSimple() const | gmx::nonbonded_verlet_t | inline |
| pairlistOuterRadius() const | gmx::nonbonded_verlet_t | |
| pairlistSets() const | gmx::nonbonded_verlet_t | inline |
| putAtomsOnGrid(const matrix box, int gridIndex, const RVec &lowerCorner, const RVec &upperCorner, const UpdateGroupsCog *updateGroupsCog, Range< int > atomRange, int numAtomsWithoutFillers, real atomDensity, ArrayRef< const int32_t > atomInfo, ArrayRef< const RVec > x, const int *move) | gmx::nonbonded_verlet_t | |
| setAtomProperties(ArrayRef< const int > atomTypes, ArrayRef< const real > atomCharges, ArrayRef< const int32_t > atomInfo) const | gmx::nonbonded_verlet_t | |
| setLocalAtomOrder() const | gmx::nonbonded_verlet_t | |
| setNonLocalGrid(int gridIndex, int ddZone, const GridDimensions &gridDimensions, ArrayRef< const std::pair< int, int >> columns, ArrayRef< const int32_t > atomInfo, ArrayRef< const RVec > x) (defined in gmx::nonbonded_verlet_t) | gmx::nonbonded_verlet_t | |
| setupFepThreadedForceBuffer(int numAtomsForce) (defined in gmx::nonbonded_verlet_t) | gmx::nonbonded_verlet_t | |
| setupGpuShortRangeWork(const ListedForcesGpu *listedForcesGpu, InteractionLocality iLocality) const | gmx::nonbonded_verlet_t | |
| useGpu() const | gmx::nonbonded_verlet_t | inline |
| ~nonbonded_verlet_t() (defined in gmx::nonbonded_verlet_t) | gmx::nonbonded_verlet_t |
1.8.5