box[ZZ][XX],box[ZZ][YY],box[ZZ][ZZ]);
}
-static void calc_comg(int is,int *coi,int *index,bool bMass,t_atom *atom,
+static void calc_comg(int is,int *coi,int *index,gmx_bool bMass,t_atom *atom,
rvec *x,rvec *x_comg)
{
int c,i,d;
static void do_rdf(const char *fnNDX,const char *fnTPS,const char *fnTRX,
const char *fnRDF,const char *fnCNRDF, const char *fnHQ,
- bool bCM,const char *close,
- const char **rdft,bool bXY,bool bPBC,bool bNormalize,
+ gmx_bool bCM,const char *close,
+ const char **rdft,gmx_bool bXY,gmx_bool bPBC,gmx_bool bNormalize,
real cutoff,real binwidth,real fade,int ng,
const output_env_t oenv)
{
real segvol,spherevol,prev_spherevol,**rdf;
rvec *x,dx,*x0=NULL,*x_i1,xi;
real *inv_segvol,invvol,invvol_sum,rho;
- bool bClose,*bExcl,bTop,bNonSelfExcl;
+ gmx_bool bClose,*bExcl,bTop,bNonSelfExcl;
matrix box,box_pbc;
int **npairs;
atom_id ix,jx,***pairs;
"be computed (option [TT]-sq[tt]). The algorithm uses FFT, the grid",
"spacing of which is determined by option [TT]-grid[tt]."
};
- static bool bCM=FALSE,bXY=FALSE,bPBC=TRUE,bNormalize=TRUE;
+ static gmx_bool bCM=FALSE,bXY=FALSE,bPBC=TRUE,bNormalize=TRUE;
static real cutoff=0,binwidth=0.002,grid=0.05,fade=0.0,lambda=0.1,distance=10;
static int npixel=256,nlevel=20,ngroups=1;
static real start_q=0.0, end_q=60.0, energy=12.0;
};
#define NPA asize(pa)
const char *fnTPS,*fnNDX,*fnDAT=NULL;
- bool bSQ,bRDF;
+ gmx_bool bSQ,bRDF;
output_env_t oenv;
t_filenm fnm[] = {