Gromacs  2024.2
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ListedForces Member List

This is the complete list of members for ListedForces, including all inherited members.

calculate(struct gmx_wallcycle *wcycle, const matrix box, const t_commrec *cr, const gmx_multisim_t *ms, gmx::ArrayRefWithPadding< const gmx::RVec > coordinates, gmx::ArrayRef< const gmx::RVec > xWholeMolecules, t_fcdata *fcdata, const history_t *hist, gmx::ForceOutputs *forceOutputs, const t_forcerec *fr, const struct t_pbc *pbc, gmx_enerdata_t *enerd, t_nrnb *nrnb, gmx::ArrayRef< const real > lambda, gmx::ArrayRef< const real > chargeA, gmx::ArrayRef< const real > chargeB, gmx::ArrayRef< const bool > atomIsPerturbed, gmx::ArrayRef< const unsigned short > cENER, int nPerturbed, int *global_atom_index, const gmx::StepWorkload &stepWork)ListedForces
haveCpuBondeds() const ListedForces
haveCpuListedForces(const t_fcdata &fcdata) const ListedForces
haveRestraints(const t_fcdata &fcdata) const ListedForces
InteractionGroup enum nameListedForces
InteractionSelection typedefListedForces
interactionSelectionAll()ListedForcesinlinestatic
ListedForces(const gmx_ffparams_t &ffparams, int numEnergyGroups, int numThreads, InteractionSelection interactionSelection, FILE *fplog)ListedForces
ListedForces(ListedForces &&o) noexceptListedForces
setup(const InteractionDefinitions &domainIdef, int numAtomsForce, bool useGpu)ListedForces
~ListedForces()ListedForces