real spacing,radius;
real *elem;
int *count;
- bool bPhi;
+ gmx_bool bPhi;
int nx,ny;
real **cmap;
} t_gkrbin;
-static t_gkrbin *mk_gkrbin(real radius,real rcmax,bool bPhi,int ndegrees)
+static t_gkrbin *mk_gkrbin(real radius,real rcmax,gmx_bool bPhi,int ndegrees)
{
t_gkrbin *gb;
char *ptr;
ffclose(fp);
}
-bool read_mu_from_enx(ener_file_t fmu,int Vol,ivec iMu,rvec mu,real *vol,
+gmx_bool read_mu_from_enx(ener_file_t fmu,int Vol,ivec iMu,rvec mu,real *vol,
real *t, int nre,t_enxframe *fr)
{
int i;
- bool bCont;
+ gmx_bool bCont;
char buf[22];
bCont = do_enx(fmu,fr);
do_view(oenv,fn,"-autoscale xy -nxy");
}
-static void compute_avercos(int n,rvec dip[],real *dd,rvec axis,bool bPairs)
+static void compute_avercos(int n,rvec dip[],real *dd,rvec axis,gmx_bool bPairs)
{
int i,j,k;
double dc,dc1,d,n5,ddc1,ddc2,ddc3;
const char *out_mtot,const char *out_eps,
const char *out_aver, const char *dipdist,
const char *cosaver, const char *fndip3d,
- const char *fnadip, bool bPairs,
+ const char *fnadip, gmx_bool bPairs,
const char *corrtype,const char *corf,
- bool bGkr, const char *gkrfn,
- bool bPhi, int *nlevels, int ndegrees,
+ gmx_bool bGkr, const char *gkrfn,
+ gmx_bool bPhi, int *nlevels, int ndegrees,
int ncos,
const char *cmap, real rcmax,
- bool bQuad, const char *quadfn,
- bool bMU, const char *mufn,
+ gmx_bool bQuad, const char *quadfn,
+ gmx_bool bMU, const char *mufn,
int *gnx, int *molindex[],
real mu_max, real mu_aver,
real epsilonRF,real temp,
int *gkatom, int skip,
- bool bSlab, int nslices,
+ gmx_bool bSlab, int nslices,
const char *axtitle, const char *slabfn,
const output_env_t oenv)
{
real rcut=0,t,t0,t1,dt,lambda,dd,rms_cos;
rvec dipaxis;
matrix box;
- bool bCorr,bTotal,bCont;
+ gmx_bool bCorr,bTotal,bCont;
double M_diff=0,epsilon,invtel,vol_aver;
double mu_ave,mu_mol,M2_ave=0,M_ave2=0,M_av[DIM],M_av2[DIM];
double M[3],M2[3],M4[3],Gk=0,g_k=0;
};
real mu_max=5, mu_aver=-1,rcmax=0;
real epsilonRF=0.0, temp=300;
- bool bAverCorr=FALSE,bMolCorr=FALSE,bPairs=TRUE,bPhi=FALSE;
+ gmx_bool bAverCorr=FALSE,bMolCorr=FALSE,bPairs=TRUE,bPhi=FALSE;
const char *corrtype[]={NULL, "none", "mol", "molsep", "total", NULL};
const char *axtitle="Z";
int nslices = 10; /* nr of slices defined */
int nFF[2];
atom_id **grpindex;
char **grpname=NULL;
- bool bCorr,bQuad,bGkr,bMU,bSlab;
+ gmx_bool bCorr,bQuad,bGkr,bMU,bSlab;
t_filenm fnm[] = {
{ efEDR, "-en", NULL, ffOPTRD },
{ efTRX, "-f", NULL, ffREAD },