ffclose(fp);
}
-static void regression_analysis(int n,bool bXYdy,
+static void regression_analysis(int n,gmx_bool bXYdy,
real *x,int nset,real **val)
{
real S,chi2,a,b,da,db,r=0;
static void estimate_error(const char *eefile,int nb_min,int resol,int n,
int nset, double *av,double *sig,real **val,real dt,
- bool bFitAc,bool bSingleExpFit,bool bAllowNegLTCorr,
+ gmx_bool bFitAc,gmx_bool bSingleExpFit,gmx_bool bAllowNegLTCorr,
const output_env_t oenv)
{
FILE *fp;
}
static void luzar_correl(int nn,real *time,int nset,real **val,real temp,
- bool bError,real fit_start,real smooth_tail_start,
+ gmx_bool bError,real fit_start,real smooth_tail_start,
const output_env_t oenv)
{
const real tol = 1e-8;
sfree(filt);
}
-static void do_fit(FILE *out,int n,bool bYdy,int ny,real *x0,real **val,
+static void do_fit(FILE *out,int n,gmx_bool bYdy,int ny,real *x0,real **val,
int npargs,t_pargs *ppa,const output_env_t oenv)
{
real *c1=NULL,*sig=NULL,*fitparm;
static void do_ballistic(const char *balFile, int nData,
real *t, real **val, int nSet,
real balTime, int nBalExp,
- bool bDerivative,
+ gmx_bool bDerivative,
const output_env_t oenv)
{
double **ctd=NULL, *td=NULL;
"from [TT]g_hbond -ac[tt], and then the same result should be produced."
};
static real tb=-1,te=-1,frac=0.5,filtlen=0,binwidth=0.1,aver_start=0;
- static bool bHaveT=TRUE,bDer=FALSE,bSubAv=TRUE,bAverCorr=FALSE,bXYdy=FALSE;
- static bool bEESEF=FALSE,bEENLC=FALSE,bEeFitAc=FALSE,bPower=FALSE;
- static bool bIntegrate=FALSE,bRegression=FALSE,bLuzar=FALSE,bLuzarError=FALSE;
+ static gmx_bool bHaveT=TRUE,bDer=FALSE,bSubAv=TRUE,bAverCorr=FALSE,bXYdy=FALSE;
+ static gmx_bool bEESEF=FALSE,bEENLC=FALSE,bEeFitAc=FALSE,bPower=FALSE;
+ static gmx_bool bIntegrate=FALSE,bRegression=FALSE,bLuzar=FALSE,bLuzarError=FALSE;
static int nsets_in=1,d=1,nb_min=4,resol=10, nBalExp=4, nFitPoints=100;
static real temp=298.15,fit_start=1, fit_end=60, smooth_tail_start=-1, balTime=0.2, diffusion=5e-5,rcut=0.35;