t_block *dd_charge_groups_global(gmx_domdec_t *dd);
/* Return a block struct for the charge groups of the whole system */
-bool dd_filled_nsgrid_home(gmx_domdec_t *dd);
+gmx_bool dd_filled_nsgrid_home(gmx_domdec_t *dd);
/* Is the ns grid already filled with the home particles? */
void dd_store_state(gmx_domdec_t *dd,t_state *state);
real dd_cutoff_twobody(gmx_domdec_t *dd);
-bool gmx_pmeonlynode(t_commrec *cr,int nodeid);
+gmx_bool gmx_pmeonlynode(t_commrec *cr,int nodeid);
/* Return if nodeid in cr->mpi_comm_mysim is a PME-only node */
void get_pme_ddnodes(t_commrec *cr,int pmenodeid,
void dd_init_bondeds(FILE *fplog,
gmx_domdec_t *dd,gmx_mtop_t *mtop,
gmx_vsite_t *vsite,gmx_constr_t constr,
- t_inputrec *ir,bool bBCheck,cginfo_mb_t *cginfo_mb);
+ t_inputrec *ir,gmx_bool bBCheck,cginfo_mb_t *cginfo_mb);
/* Initialize data structures for bonded interactions */
void set_dd_parameters(FILE *fplog,gmx_domdec_t *dd,real dlb_scale,
void dd_partition_system(FILE *fplog,
gmx_large_int_t step,
t_commrec *cr,
- bool bMasterState,
+ gmx_bool bMasterState,
int nstglobalcomm,
t_state *state_global,
gmx_mtop_t *top_global,
gmx_constr_t constr,
t_nrnb *nrnb,
gmx_wallcycle_t wcycle,
- bool bVerbose);
+ gmx_bool bVerbose);
/* Partition the system over the nodes.
* step is only used for printing error messages.
* If bMasterState==TRUE then state_global from the master node is used,
void dd_make_reverse_top(FILE *fplog,
gmx_domdec_t *dd,gmx_mtop_t *mtop,
gmx_vsite_t *vsite,gmx_constr_t constr,
- t_inputrec *ir,bool bBCheck);
+ t_inputrec *ir,gmx_bool bBCheck);
void dd_make_local_cgs(gmx_domdec_t *dd,t_block *lcgs);
void dd_bonded_cg_distance(FILE *fplog,
gmx_domdec_t *dd,gmx_mtop_t *mtop,
t_inputrec *ir,rvec *x,matrix box,
- bool bBCheck,
+ gmx_bool bBCheck,
real *r_2b,real *r_mb);
void write_dd_pdb(const char *fn,gmx_large_int_t step,const char *title,
real dd_choose_grid(FILE *fplog,
t_commrec *cr,gmx_domdec_t *dd,t_inputrec *ir,
gmx_mtop_t *mtop,matrix box,gmx_ddbox_t *ddbox,
- bool bDynLoadBal,real dlb_scale,
+ gmx_bool bDynLoadBal,real dlb_scale,
real cellsize_limit,real cutoff_dd,
- bool bInterCGBondeds,bool bInterCGMultiBody);
+ gmx_bool bInterCGBondeds,gmx_bool bInterCGMultiBody);
/* Determines the optimal DD cell setup dd->nc and possibly npmenodes
* for the system.
* On the master node returns the actual cellsize limit used.
/* In domdec_box.c */
-void set_ddbox(gmx_domdec_t *dd,bool bMasterState,t_commrec *cr_sum,
+void set_ddbox(gmx_domdec_t *dd,gmx_bool bMasterState,t_commrec *cr_sum,
t_inputrec *ir,matrix box,
- bool bCalcUnboundedSize,t_block *cgs,rvec *x,
+ gmx_bool bCalcUnboundedSize,t_block *cgs,rvec *x,
gmx_ddbox_t *ddbox);
void set_ddbox_cr(t_commrec *cr,ivec *dd_nc,