Gromacs  2025.3
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
gmx::FreeEnergyDispatch Member List

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