/* TODO Specialize this routine into init-time and loop-time versions?
e.g. bReadEkin is only true when restoring from checkpoint */
-void compute_globals(gmx_global_stat* gstat,
- t_commrec* cr,
- const t_inputrec* ir,
- t_forcerec* fr,
- gmx_ekindata_t* ekind,
- const rvec* x,
- const rvec* v,
- const matrix box,
- real vdwLambda,
- const t_mdatoms* mdatoms,
- t_nrnb* nrnb,
- t_vcm* vcm,
- gmx_wallcycle_t wcycle,
- gmx_enerdata_t* enerd,
- tensor force_vir,
- tensor shake_vir,
- tensor total_vir,
- tensor pres,
- gmx::Constraints* constr,
- gmx::SimulationSignaller* signalCoordinator,
- const matrix lastbox,
- int* totalNumberOfBondedInteractions,
- gmx_bool* bSumEkinhOld,
- const int flags)
+void compute_globals(gmx_global_stat* gstat,
+ t_commrec* cr,
+ const t_inputrec* ir,
+ t_forcerec* fr,
+ gmx_ekindata_t* ekind,
+ gmx::ArrayRef<const gmx::RVec> x,
+ gmx::ArrayRef<const gmx::RVec> v,
+ const matrix box,
+ real vdwLambda,
+ const t_mdatoms* mdatoms,
+ t_nrnb* nrnb,
+ t_vcm* vcm,
+ gmx_wallcycle_t wcycle,
+ gmx_enerdata_t* enerd,
+ tensor force_vir,
+ tensor shake_vir,
+ tensor total_vir,
+ tensor pres,
+ gmx::Constraints* constr,
+ gmx::SimulationSignaller* signalCoordinator,
+ const matrix lastbox,
+ int* totalNumberOfBondedInteractions,
+ gmx_bool* bSumEkinhOld,
+ const int flags)
{
gmx_bool bEner, bPres, bTemp;
gmx_bool bStopCM, bGStat, bReadEkin, bEkinAveVel, bScaleEkin, bConstrain;