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48 /* the block structure points into an array (usually of atom_ids).
49 It is a list of starting indices for objects of consecutive ids, such
51 For example, if this block denotes molecules, then the first molecule
52 ranges from index[0] to index[1]-1 in the atom list.
54 This makes the mapping from atoms to molecules O(Nmolecules) instead
55 of O(Natoms) in size. */
57 int nr; /* The number of blocks */
58 atom_id *index; /* Array of indices (dim: nr+1) */
59 int nalloc_index; /* The allocation size for index */
63 int nr; /* The number of blocks */
64 atom_id *index; /* Array of indices in a (dim: nr+1) */
65 int nra; /* The number of atoms */
66 atom_id *a; /* Array of atom numbers in each group */
68 /* Block i (0<=i<nr) runs from */
69 /* index[i] to index[i+1]-1. There will */
70 /* allways be an extra entry in index */
71 /* to terminate the table */
72 int nalloc_index; /* The allocation size for index */
73 int nalloc_a; /* The allocation size for a */