int ***vsite_pbc_molt; /* The pbc atoms for intercg vsites */
int **vsite_pbc_loc; /* The local pbc atoms */
int *vsite_pbc_loc_nalloc;
- bool bPDvsitecomm; /* Do we need vsite communication with PD? */
+ gmx_bool bPDvsitecomm; /* Do we need vsite communication with PD? */
t_comm_vsites *vsitecomm; /* The PD vsite communication struct */
} gmx_vsite_t;
rvec x[],t_nrnb *nrnb,
real dt,rvec v[],
t_iparams ip[],t_ilist ilist[],
- int ePBC,bool bMolPBC,t_graph *graph,
+ int ePBC,gmx_bool bMolPBC,t_graph *graph,
t_commrec *cr,matrix box);
/* Create positions of vsite atoms based on surrounding atoms
* for the local system.
void spread_vsite_f(FILE *log,gmx_vsite_t *vsite,
rvec x[],rvec f[],rvec *fshift,
t_nrnb *nrnb,t_idef *idef,
- int ePBC,bool bMolPBC,t_graph *g,matrix box,
+ int ePBC,gmx_bool bMolPBC,t_graph *g,matrix box,
t_commrec *cr);
/* Spread the force operating on the vsite atoms on the surrounding atoms.
* If fshift!=NULL also update the shift forces.