-void do_pairs(int ftype,
- int nbonds,
- const t_iatom iatoms[],
- const t_iparams iparams[],
- const rvec x[],
- rvec4 f[],
- rvec fshift[],
- const struct t_pbc* pbc,
- const real* lambda,
- real* dvdl,
- const t_mdatoms* md,
- const t_forcerec* fr,
- const bool havePerturbedInteractions,
- const gmx::StepWorkload& stepWork,
- gmx_grppairener_t* grppener,
- int* global_atom_index)
+void do_pairs(int ftype,
+ int nbonds,
+ const t_iatom iatoms[],
+ const t_iparams iparams[],
+ const rvec x[],
+ rvec4 f[],
+ rvec fshift[],
+ const struct t_pbc* pbc,
+ const real* lambda,
+ real* dvdl,
+ gmx::ArrayRef<real> chargeA,
+ gmx::ArrayRef<real> chargeB,
+ gmx::ArrayRef<bool> atomIsPerturbed,
+ gmx::ArrayRef<unsigned short> cENER,
+ const int numEnergyGroups,
+ const t_forcerec* fr,
+ const bool havePerturbedInteractions,
+ const gmx::StepWorkload& stepWork,
+ gmx_grppairener_t* grppener,
+ int* global_atom_index)