t_nrnb* nrnb);
//! Executes the non-bonded free-energy kernel, always runs on the CPU
- void dispatchFreeEnergyKernel(gmx::InteractionLocality iLocality,
- const t_forcerec* fr,
- rvec x[],
- gmx::ForceWithShiftForces* forceWithShiftForces,
- const t_mdatoms& mdatoms,
- t_lambda* fepvals,
- gmx::ArrayRef<const real> lambda,
- gmx_enerdata_t* enerd,
- const gmx::StepWorkload& stepWork,
- t_nrnb* nrnb);
+ void dispatchFreeEnergyKernel(gmx::InteractionLocality iLocality,
+ const t_forcerec& fr,
+ gmx::ArrayRef<const gmx::RVec> coords,
+ gmx::ForceWithShiftForces* forceWithShiftForces,
+ const t_mdatoms& mdatoms,
+ t_lambda* fepvals,
+ gmx::ArrayRef<const real> lambda,
+ gmx_enerdata_t* enerd,
+ const gmx::StepWorkload& stepWork,
+ t_nrnb* nrnb);
/*! \brief Add the forces stored in nbat to f, zeros the forces in nbat
* \param [in] locality Local or non-local