class MdrunScheduleWorkload;
class MDLogger;
class StepWorkload;
-}
+} // namespace gmx
-void do_force(FILE *log,
- const t_commrec *cr,
- const gmx_multisim_t *ms,
- const t_inputrec *inputrec,
- gmx::Awh *awh,
- gmx_enfrot *enforcedRotation,
- gmx::ImdSession *imdSession,
- pull_t *pull_work,
- int64_t step,
- t_nrnb *nrnb,
- gmx_wallcycle *wcycle,
- const gmx_localtop_t *top,
- const matrix box,
- gmx::ArrayRefWithPadding<gmx::RVec> coordinates,
- history_t *hist,
- gmx::ArrayRefWithPadding<gmx::RVec> force,
- tensor vir_force,
- const t_mdatoms *mdatoms,
- gmx_enerdata_t *enerd,
- t_fcdata *fcd,
- gmx::ArrayRef<real> lambda,
- t_graph *graph,
- t_forcerec *fr,
- gmx::MdrunScheduleWorkload *runScheduleWork,
- const gmx_vsite_t *vsite,
- rvec mu_tot,
- double t,
- gmx_edsam *ed,
- int legacyFlags,
- const DDBalanceRegionHandler &ddBalanceRegionHandler);
+void do_force(FILE* log,
+ const t_commrec* cr,
+ const gmx_multisim_t* ms,
+ const t_inputrec* inputrec,
+ gmx::Awh* awh,
+ gmx_enfrot* enforcedRotation,
+ gmx::ImdSession* imdSession,
+ pull_t* pull_work,
+ int64_t step,
+ t_nrnb* nrnb,
+ gmx_wallcycle* wcycle,
+ const gmx_localtop_t* top,
+ const matrix box,
+ gmx::ArrayRefWithPadding<gmx::RVec> coordinates,
+ history_t* hist,
+ gmx::ArrayRefWithPadding<gmx::RVec> force,
+ tensor vir_force,
+ const t_mdatoms* mdatoms,
+ gmx_enerdata_t* enerd,
+ t_fcdata* fcd,
+ gmx::ArrayRef<real> lambda,
+ t_graph* graph,
+ t_forcerec* fr,
+ gmx::MdrunScheduleWorkload* runScheduleWork,
+ const gmx_vsite_t* vsite,
+ rvec mu_tot,
+ double t,
+ gmx_edsam* ed,
+ int legacyFlags,
+ const DDBalanceRegionHandler& ddBalanceRegionHandler);
/* Communicate coordinates (if parallel).
* Do neighbor searching (if necessary).
*/
-void
-do_force_lowlevel(t_forcerec *fr,
- const t_inputrec *ir,
- const t_idef *idef,
- const t_commrec *cr,
- const gmx_multisim_t *ms,
- t_nrnb *nrnb,
- gmx_wallcycle *wcycle,
- const t_mdatoms *md,
- gmx::ArrayRefWithPadding<gmx::RVec> coordinates,
- history_t *hist,
- gmx::ForceOutputs *forceOutputs,
- gmx_enerdata_t *enerd,
- t_fcdata *fcd,
- const matrix box,
- const real *lambda,
- const t_graph *graph,
- const rvec *mu_tot,
- const gmx::StepWorkload &stepWork,
- const DDBalanceRegionHandler &ddBalanceRegionHandler);
+void do_force_lowlevel(t_forcerec* fr,
+ const t_inputrec* ir,
+ const t_idef* idef,
+ const t_commrec* cr,
+ const gmx_multisim_t* ms,
+ t_nrnb* nrnb,
+ gmx_wallcycle* wcycle,
+ const t_mdatoms* md,
+ gmx::ArrayRefWithPadding<gmx::RVec> coordinates,
+ history_t* hist,
+ gmx::ForceOutputs* forceOutputs,
+ gmx_enerdata_t* enerd,
+ t_fcdata* fcd,
+ const matrix box,
+ const real* lambda,
+ const t_graph* graph,
+ const rvec* mu_tot,
+ const gmx::StepWorkload& stepWork,
+ const DDBalanceRegionHandler& ddBalanceRegionHandler);
/* Call all the force routines */
#endif