}
low_do_autocorr(NULL, oenv, NULL, n, 1, -1, &ac,
dt, eacNormal, 1, FALSE, TRUE,
- FALSE, 0, 0, effnNONE, 0);
+ FALSE, 0, 0, effnNONE);
fitlen = n/nb_min;
}
}
-static void filter(real flen, int n, int nset, real **val, real dt,
- const output_env_t oenv)
+static void filter(real flen, int n, int nset, real **val, real dt)
{
int f, s, i, j;
double *filt, sum, vf, fluc, fluctot;
static void do_ballistic(const char *balFile, int nData,
real *t, real **val, int nSet,
real balTime, int nBalExp,
- gmx_bool bDerivative,
const output_env_t oenv)
{
double **ctd = NULL, *td = NULL;
- t_gemParams *GP = init_gemParams(0, 0, t, nData, 0, 0, 0, balTime, nBalExp, bDerivative);
+ t_gemParams *GP = init_gemParams(0, 0, t, nData, 0, 0, 0, balTime, nBalExp);
static char *leg[] = {"Ac'(t)"};
FILE *fp;
int i, set;
{
double **ctd = NULL, **ctdGem = NULL, *td = NULL;
t_gemParams *GP = init_gemParams(rcut, D, t, nData, nFitPoints,
- begFit, endFit, balTime, 1, FALSE);
+ begFit, endFit, balTime, 1);
const char *leg[] = {"Ac\\sgem\\N(t)"};
FILE *fp;
int i, set;
if (filtlen)
{
- filter(filtlen, n, nset, val, dt, oenv);
+ filter(filtlen, n, nset, val, dt);
}
if (msdfile)
}
if (balfile)
{
- do_ballistic(balfile, n, t, val, nset, balTime, nBalExp, bDer, oenv);
+ do_ballistic(balfile, n, t, val, nset, balTime, nBalExp, oenv);
}
/* if (gemfile) */
/* do_geminate(gemfile,n,t,val,nset,diffusion,rcut,balTime, */