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Gromacs
2025.3
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This is the complete list of members for gmx::FreeEnergyDispatch, including all inherited members.
| dispatchFreeEnergyKernels(const PairlistSets &pairlistSets, 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_wallcycle *wcycle) | gmx::FreeEnergyDispatch | |
| FreeEnergyDispatch(int numEnergyGroups) | gmx::FreeEnergyDispatch | |
| setupFepThreadedForceBuffer(int numAtomsForce, const PairlistSets &pairlistSets) | gmx::FreeEnergyDispatch |
1.8.5