class ImdSession;
class MDAtoms;
class MDLogger;
-} // namespace
+} // namespace gmx
//! Check whether the DD grid has moved too far for correctness.
-bool check_grid_jump(int64_t step,
- const gmx_domdec_t *dd,
- real cutoff,
- const gmx_ddbox_t *ddbox,
- gmx_bool bFatal);
+bool check_grid_jump(int64_t step, const gmx_domdec_t* dd, real cutoff, const gmx_ddbox_t* ddbox, gmx_bool bFatal);
/*! \brief Print statistics for domain decomposition communication */
-void print_dd_statistics(const t_commrec *cr, const t_inputrec *ir, FILE *fplog);
+void print_dd_statistics(const t_commrec* cr, const t_inputrec* ir, FILE* fplog);
/*! \brief Partition the system over the nodes.
*
* \param[in] wcycle Timers
* \param[in] bVerbose Be verbose
*/
-void dd_partition_system(FILE *fplog,
- const gmx::MDLogger &mdlog,
+void dd_partition_system(FILE* fplog,
+ const gmx::MDLogger& mdlog,
int64_t step,
- const t_commrec *cr,
+ const t_commrec* cr,
gmx_bool bMasterState,
int nstglobalcomm,
- t_state *state_global,
- const gmx_mtop_t &top_global,
- const t_inputrec *ir,
- gmx::ImdSession *imdSession,
- pull_t *pull_work,
- t_state *state_local,
- gmx::PaddedHostVector<gmx::RVec> *f,
- gmx::MDAtoms *mdatoms,
- gmx_localtop_t *top_local,
- t_forcerec *fr,
- gmx_vsite_t *vsite,
- gmx::Constraints *constr,
- t_nrnb *nrnb,
- gmx_wallcycle *wcycle,
+ t_state* state_global,
+ const gmx_mtop_t& top_global,
+ const t_inputrec* ir,
+ gmx::ImdSession* imdSession,
+ pull_t* pull_work,
+ t_state* state_local,
+ gmx::PaddedHostVector<gmx::RVec>* f,
+ gmx::MDAtoms* mdatoms,
+ gmx_localtop_t* top_local,
+ t_forcerec* fr,
+ gmx_vsite_t* vsite,
+ gmx::Constraints* constr,
+ t_nrnb* nrnb,
+ gmx_wallcycle* wcycle,
gmx_bool bVerbose);
/*! \brief Check whether bonded interactions are missing, if appropriate
* \param[in] box Box matrix for the error message
* \param[in,out] shouldCheckNumberOfBondedInteractions Whether we should do the check. Always set to false.
*/
-void checkNumberOfBondedInteractions(const gmx::MDLogger &mdlog,
- t_commrec *cr,
+void checkNumberOfBondedInteractions(const gmx::MDLogger& mdlog,
+ t_commrec* cr,
int totalNumberOfBondedInteractions,
- const gmx_mtop_t *top_global,
- const gmx_localtop_t *top_local,
- const rvec *x,
+ const gmx_mtop_t* top_global,
+ const gmx_localtop_t* top_local,
+ const rvec* x,
const matrix box,
- bool *shouldCheckNumberOfBondedInteractions);
+ bool* shouldCheckNumberOfBondedInteractions);
#endif