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