Gromacs
2025.1
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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 |