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56 real minrms
, maxrms
, sumrms
;
61 /* The matrix is indexed using the matrix index */
62 #define EROW(m, i) m->erow[i]
64 extern t_mat
*init_mat(int n1
, gmx_bool b1D
);
66 extern void copy_t_mat(t_mat
*dst
, t_mat
*src
);
68 extern void enlarge_mat(t_mat
*m
, int deltan
);
70 extern void reset_index(t_mat
*m
);
72 extern void swap_rows(t_mat
*m
, int iswap
, int jswap
);
74 extern void set_mat_entry(t_mat
*m
, int i
, int j
, real val
);
76 extern void done_mat(t_mat
**m
);
78 extern real
mat_energy(t_mat
*mat
);
80 extern void swap_mat(t_mat
*m
);
82 extern void low_rmsd_dist(const char *fn
, real maxrms
, int nn
, real
**mat
,
83 const output_env_t oenv
);
85 extern void rmsd_distribution(const char *fn
, t_mat
*m
, const output_env_t oenv
);
87 extern t_clustid
*new_clustid(int n1
);