Gromacs
2022-beta1
|
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, 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, gmx_wallcycle *wcycle) | FreeEnergyDispatch | |
FreeEnergyDispatch(int numEnergyGroups) | FreeEnergyDispatch | |
setupFepThreadedForceBuffer(int numAtomsForce, const PairlistSets &pairlistSets) | FreeEnergyDispatch |