point. */
} t_corr;
-typedef real t_calc_func (t_corr *, int, atom_id[], int, rvec[], rvec, gmx_bool, matrix,
- const output_env_t oenv);
+typedef real t_calc_func (t_corr *curr, int nx, atom_id index[], int nx0, rvec xc[],
+ rvec dcom, gmx_bool bTen, matrix mat);
static real thistime(t_corr *curr)
{
/* called from corr_loop, to do the main calculations */
static void calc_corr(t_corr *curr, int nr, int nx, atom_id index[], rvec xc[],
- gmx_bool bRmCOMM, rvec com, t_calc_func *calc1, gmx_bool bTen,
- const output_env_t oenv)
+ gmx_bool bRmCOMM, rvec com, t_calc_func *calc1, gmx_bool bTen)
{
int nx0;
real g;
{
clear_rvec(dcom);
}
- g = calc1(curr, nx, index, nx0, xc, dcom, bTen, mat, oenv);
+ g = calc1(curr, nx, index, nx0, xc, dcom, bTen, mat);
#ifdef DEBUG2
printf("g[%d]=%g\n", nx0, g);
#endif
/* the non-mass-weighted mean-squared displacement calcuation */
static real calc1_norm(t_corr *curr, int nx, atom_id index[], int nx0, rvec xc[],
- rvec dcom, gmx_bool bTen, matrix mat, const output_env_t oenv)
+ rvec dcom, gmx_bool bTen, matrix mat)
{
int i, ix, m, m2;
real g, r, r2;
/* the normal, mass-weighted mean-squared displacement calcuation */
static real calc1_mw(t_corr *curr, int nx, atom_id index[], int nx0, rvec xc[],
- rvec dcom, gmx_bool bTen, matrix mat, const output_env_t oenv)
+ rvec dcom, gmx_bool bTen, matrix mat)
{
int i;
real g, tm;
}
-static real calc1_mol(t_corr *curr, int nx, atom_id index[], int nx0, rvec xc[],
- rvec dcom, gmx_bool bTen, matrix mat, const output_env_t oenv)
+static real calc1_mol(t_corr *curr, int nx, atom_id gmx_unused index[], int nx0, rvec xc[],
+ rvec dcom, gmx_bool bTen, matrix mat)
{
int i;
real g, tm, gtot, tt;
{
/* calculate something useful, like mean square displacements */
calc_corr(curr, i, gnx[i], index[i], xa[cur], (gnx_com != NULL), com,
- calc1, bTen, oenv);
+ calc1, bTen);
}
cur = prev;
t_prev = t;