(*nrbonded)++;
}
-static void get_bondeds(int nrat, t_iatom atoms[],
+static void get_bondeds(int nrat, const t_iatom atoms[],
at2vsitebond_t *at2vb,
int *nrbond, t_mybonded **bonds,
int *nrang, t_mybonded **angles,
} t_pindex;
static void check_vsite_constraints(t_params *plist,
- int cftype, int vsite_type[])
+ int cftype, const int vsite_type[])
{
int i, k, n;
int atom;
}
static void clean_vsite_bonds(t_params *plist, t_pindex pindex[],
- int cftype, int vsite_type[])
+ int cftype, const int vsite_type[])
{
int ftype, i, j, k, m, n, nvsite, nOut, kept_i;
int nconverted, nremoved;
}
static void clean_vsite_angles(t_params *plist, t_pindex pindex[],
- int cftype, int vsite_type[],
+ int cftype, const int vsite_type[],
at2vsitecon_t *at2vc)
{
int i, j, k, m, n, nvsite, kept_i;
}
static void clean_vsite_dihs(t_params *plist, t_pindex pindex[],
- int cftype, int vsite_type[])
+ int cftype, const int vsite_type[])
{
int i, kept_i;
t_params *ps;