real temp;
int type;
real *q;
- bool bNPT;
+ gmx_bool bNPT;
real *pres;
int *ind;
int nst;
struct gmx_repl_ex *re,int ere,real q)
{
real *qall;
- bool bDiff;
+ gmx_bool bDiff;
int s;
snew(qall,ms->nsim);
move_rvecs(cr,FALSE,FALSE,GMX_LEFT,GMX_RIGHT,state->sd_X,NULL,shift,NULL);
}
-static void print_ind(FILE *fplog,const char *leg,int n,int *ind,bool *bEx)
+static void print_ind(FILE *fplog,const char *leg,int n,int *ind,gmx_bool *bEx)
{
int i;
int m,i,a,b;
real *Epot=NULL,*Vol=NULL,*dvdl=NULL,*prob;
real ediff=0,delta=0,dpV=0,betaA=0,betaB=0;
- bool *bEx,bPrint;
+ gmx_bool *bEx,bPrint;
int exchange;
fprintf(fplog,"Replica exchange at step %d time %g\n",step,time);
}
}
-bool replica_exchange(FILE *fplog,const t_commrec *cr,struct gmx_repl_ex *re,
+gmx_bool replica_exchange(FILE *fplog,const t_commrec *cr,struct gmx_repl_ex *re,
t_state *state,real *ener,
t_state *state_local,
int step,real time)
{
gmx_multisim_t *ms;
int exchange=-1,shift;
- bool bExchanged=FALSE;
+ gmx_bool bExchanged=FALSE;
ms = cr->ms;
if (PAR(cr))
{
#ifdef GMX_MPI
- MPI_Bcast(&bExchanged,sizeof(bool),MPI_BYTE,MASTERRANK(cr),
+ MPI_Bcast(&bExchanged,sizeof(gmx_bool),MPI_BYTE,MASTERRANK(cr),
cr->mpi_comm_mygroup);
#endif
}