ffclose(fp);
}
-static int calc_RBbin(real phi, int multiplicity, real core_frac)
+static int calc_RBbin(real phi, int gmx_unused multiplicity, real gmx_unused core_frac)
{
/* multiplicity and core_frac NOT used,
* just given to enable use of pt-to-fn in caller low_ana_dih_trans*/
}
-void mk_multiplicity_lookup (int *multiplicity, int maxchi, real **dih,
+void mk_multiplicity_lookup (int *multiplicity, int maxchi,
int nlist, t_dlist dlist[], int nangles)
{
/* new by grs - for dihedral j (as in dih[j]) get multiplicity from dlist
}
-void mk_chi_lookup (int **lookup, int maxchi, real **dih,
+void mk_chi_lookup (int **lookup, int maxchi,
int nlist, t_dlist dlist[])
{
}
-void get_chi_product_traj (real **dih, int nframes, int nangles, int nlist,
+void get_chi_product_traj (real **dih, int nframes, int nlist,
int maxchi, t_dlist dlist[], real time[],
int **lookup, int *multiplicity, gmx_bool bRb, gmx_bool bNormalize,
real core_frac, gmx_bool bAll, const char *fnall,
*S2 = tdc*tdc+tds*tds;
}
-static void calc_angles(FILE *log, t_pbc *pbc,
+static void calc_angles(t_pbc *pbc,
int n3, atom_id index[], real ang[], rvec x_s[])
{
int i, ix, t1, t2;
}
}
-static void calc_dihs(FILE *log, t_pbc *pbc,
+static void calc_dihs(t_pbc *pbc,
int n4, atom_id index[], real ang[], rvec x_s[])
{
int i, ix, t1, t2, t3;
if (bAngles)
{
- calc_angles(stdout, pbc, isize, index, angles[cur], x);
+ calc_angles(pbc, isize, index, angles[cur], x);
}
else
{
- calc_dihs(stdout, pbc, isize, index, angles[cur], x);
+ calc_dihs(pbc, isize, index, angles[cur], x);
/* Trans fraction */
fraction = calc_fraction(angles[cur], nangles);