Gromacs
2025-dev-20240812-545ca5b
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This is the complete list of members for FreeEnergyDispatch, including all inherited members.
dispatchFreeEnergyKernels(const PairlistSets &pairlistSets, 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, gmx::ArrayRef< const real > lambda, gmx_enerdata_t *enerd, const gmx::StepWorkload &stepWork, t_nrnb *nrnb, gmx_wallcycle *wcycle) | FreeEnergyDispatch | |
FreeEnergyDispatch(int numEnergyGroups) | FreeEnergyDispatch | |
setupFepThreadedForceBuffer(int numAtomsForce, const PairlistSets &pairlistSets) | FreeEnergyDispatch |